Recently, Kayyalha et al. (Phys. Rev. Lett., 2019, 122, 047003) reported on anomalous enhancement of the self-field critical currents, I_c (sf,T), at low temperatures in Nb/BiSbTeSe₂-nanoribbon/Nb Josephson junctions. The enhancement was attributed to the low-energy Andreev bound states arising from winding of the electronic wave function around the circumference of the topological insulator BiSbTeSe₂ nanoribbon. In this paper, we show that identical enhancement in I_c(sf,T) and in the upper critical field, B_c2(T), at approximately same reduced temperatures, were reported by several research groups in atomically thin junctions based on a variety of Dirac-cone materials (DCM) earlier. Our analysis shows that in all these S/DCM/S systems the enhancement is due to a new superconducting band opening. Taking in account that several intrinsic superconductors also exhibit the effect of new superconducting band(s) opening when sample thickness becomes thinner than the out-of-plane coherence length, we strength our previous proposal that there is a new phenomenon of additional superconducting band(s) opening in atomically thin films.

High purity TiO2 and CuO powders were synthesized by the Pechini method, an inexpensive and easy-to-implement procedure to synthetize metal oxides. The variables of synthesis were the ethylene glycol:citric acid molar ratio and the pH. High reproducibility of the anatase and tenorite phase was obtained for all synthesis routes. The degree of purity of the powders was confirmed by XRD, FTIR, UV-vis absorption and XPS spectra. SEM and TEM images revealed the powders are composed by micrometer grains that can have a spherical shape (only in the TiO2) or formed by a non-compacted nanocrystalline conglomerate. FTIR spectra only vibrational modes associated to the TiO2 or CuO with a nanoparticle behavior. UV-vis absorption spectra revealed the values of maximum absorbance percentage of both systems are reached in the ultraviolet region, with percentages above 83 % throughout the entire visible light spectrum for the CuO system, a relevant result for solar cell applications. Finally, XPS experiments allow the observation of the valence bands and the calculation of the energy bands of all oxides.

Self-assembly is a spontaneous process through which macroscopic structures are formed from basic microscopic constituents (e.g. molecules or colloids). By contrast, the formation of large biological molecules inside the cell (such as proteins or nucleic acids) is a process more akin to self-organization than to self-assembly, as it requires a constant supply of external energy. Recent studies have tried to merge self-assembly with self-organization by analyzing the assembly of self-propelled (or active) colloid-like particles whose motion is driven by a permanent source of energy. Here we present evidence that points to the fact that self-propulsion considerably enhances the assembly of polymers: self-propelled molecules are found to assemble into polymer-like structures, the average length of which increases towards a maximum as the self-propulsion force increases. Beyond this maximum, the average polymer length decreases due to the competition between bonding energy and disruptive forces that result from collisions. The assembly of active molecules might have promoted the formation of large pre-biotic polymers that could be the precursors of the informational polymers we observe nowadays.

Hybrid metal-organic compounds as relatively new and prosperous magnetoelectric multiferroics provide opportunities to improve the polarization, magnetization and magneto-electric coupling at the same time, which usually have some limitations in the common type-I and type-II multiferroics. In this work we investigate the crystal of guanidinium copper(II) formate [C(NH2)3]Cu(HCOO)3 and give novel insights concerning the structure, magnetic, electric and magneto-electric behaviour of this interesting material. Detailed analysis of crystal structure at 100 K is given. Magnetization points to the copper(II)-formate spin-chain phase that becomes ordered below 4.6 K into the canted antiferromagnetic (AFM) state, as a result of super-exchange interaction over different formate bridges. The performed ab-initio colinear density functional theory (DFT) calculation confirm the AFM-like ground state as a first approximation and explain the coupling of spin-chains into the AFM ordered lattice. In versatile measurements of magnetization of a crystal, including transverse component besides the longitudinal one, very large anisotropy is found that might originate from canting of the coordination octahedra around copper(II) in cooperation with the canted AFM order. With cooling down in zero fields the generation of spontaneous polarization is observed step-wise below 270 K and 210 K and the effect of magnetic field on its value is observed also in the paramagnetic phase. Measured polarization is somewhat smaller than the DFT value in the c-direction, possibly due to twin domains present in the crystal. The considerable magneto-electric coupling below the magnetic transition temperature is measured with different orientations of the crystal in magnetic field, giving altogether the new light onto the magneto-electric effect in this material.

In this paper, by developing a mathematical model, the operating temperature of perovskite solar cells (PSCs) under different operating conditions has been calculated. It is found that by reducing the density of tail states at the interfaces, acting as recombination centres, through some passivation mechanisms, the operating temperature can be reduced significantly at higher applied voltages. The results show that if the density of tail states at the interfaces is reduced by three orders of magnitude through some passivation mechanisms, then the active layer may not undergo any phase change up to an ambient temperature 300 K and it may not degrade up to 320 K. The calculated heat generation at the interfaces at different applied voltages with and without passivation shows that the heat generation can be reduced by passivating the interfaces. It is expected that this study may provide a deeper understanding of the influence of interface passivation on the operating temperature of PSCs.

While the observation of magnetic monopoles has defied all experimental attempts in high-energy physics and astrophysics, sound theoretical approaches predict they should exist, and they have indeed been observed as quasiparticle excitations in certain condensed-matter systems. This indicates that, even though they are not ubiquitous contrary to electrons, it is possible to get them as excitations above a ground state. In this report, we show that phonons or lattice shear strain generate topological monopoles in some low-dimensional quantum antiferromagnets. For the Heisenberg ladder, phonons are found to generate topological monopoles with nonzero density due to quantum spin fluctuations. For the four-leg Heisenberg tube, longitudinal shear stress generates topological monopoles with density proportional to the strain deformation. The present theory is based on mapping the spin degrees of freedom onto spinless fermions using the generalized Jordan-Wigner transformation in dimensions higher than one. The effective magnetic field generated by the motion of the spinless fermions has non-zero divergence when phonons or shear stress are present. A possible system where the present kind of monopoles could be observed is BiCu$_2$PO$_6$.

In this work, we have studied the propagation of ultrasonic waves of lysozyme solutions characterized by different degrees of aggregation and networking. The experimental investigation has been performed by means of the Transient Grating (TG) spectroscopy as a function of temperature; this technique enables to measure the ultrasonic acoustic proprieties over a wide time window, ranging from nanoseconds to milliseconds. The fitting of the measured TG signal allows the extraction of several dynamic properties, here we focused on the speed and the damping rate of sound. The temperature variation induces in the lysozyme solutions a series of processes: protein folding-unfolding, aggregation and sol-gel transition. Our TG investigation shows how these self-assembling phenomena modulate the sound propagation, affecting both the velocity and the damping rate of the ultrasonic waves. In particular, the damping of ultrasonic acoustic waves proves to be a dynamic property very sensitive to the protein conformational rearrangements and aggregation processes.

This study describes all the properties of high T_c cuprates by introducing rotating holes that are created by angular momentum conservations on a 2D CuO₂ surface, and which have a different mass from that of a normal hole because of the magnetic field energy induced by the rotation. This new particle called a macroscopic Boson describes the doping dependences of pseudo-gap temperature and the transition temperature at which an anomaly metal phase appears and describes the origin of the pseudo-gap. Furthermore, this study introduces a new model to handle many-body interactions, which results in a new statistic equation. This statistic equation describing many-body interactions accurately explains why high T_c cuprates have significantly high critical temperatures. Moreover a partition function of macroscopic Bosons describes all the properties of anomaly metal phase, which sufficiently agree with experiments, using the result from our previous study [1] that analytically describes the doping dependence of T_c. By introducing a macroscopic Boson and the new statistical model for many-body interactions, this study uncovered the mystery of high T_c cuprates, which have been a challenge for many researchers. An important point is that, in this study, pure analytical calculations are consistently conducted, which agree with experimental data well (i.e., they do not use numerical calculations or fitting methods but use many actual physical constants).

Compared to other 2D materials, MBenes are at an early stage in both experimental and theoretical approaches. However, the wide range of possible 2D structures leads to novel and challenging properties and their consequent applications. From all the possible stoichiometries, we have performed a theoretical study of orthorhombic and hexagonal M2B2 MBenes in the framework of the Density Functional Theory. We have found that both symmetries of Cr2B2, Fe2B2, and Zr2B2 show a metallic behavior and could be grown under certain conditions, as they are demonstrated to be dynamically stable. Moreover, the values of the magnetic moment, in specific ferromagnetic cases exceeding 2.5 μB/M2B2, make them suitable as robust 2D magnets. All our findings represent an important step in the understanding of MBenes and open several windows to future research in fields like energy conversion and storage, sensing, catalysis, biochemistry, or nanotechnology, among others.

This work aims to investigate the effect of Pt concentration on crystal growth mechanism of Platinum-Palladium (Pt-Pd) binary alloy system during the annealing process starting from amorphous phase until some definite temperatures. The calculations have been performed by using molecular dynamic (MD) simulations. Interatomic interactions are described by on Sutton-Chen type Embedded Atom Potential Energy function. In order to understand the main structural properties at the stable and unstable phases, changes in RDF curves versus time have been analysed for different annealing temperatures. Crystalline type bonded pairs have been determined using MD calculations which is required for the computation of Avrami coefficients and for understanding crystal growth mechanism. The results demonstrate that the increase in concentration of Pt during annealing leads to migration of atoms in the crystal lattice points, elimination of dislocations and formation of perfect crystal structure.

As known all physical properties of solids are described well by the system of quantum linear harmonic oscillators. It is shown in the present paper that the system consisting of classical linear harmonic oscillators having temperature dependent masses or (and) frequencies has the same partition function as the system consisting of quantum linear harmonic oscillators having temperature independent masses and frequencies while the means of the square displacements of the positions of the oscillators from their mean positions for the system consisting of classical linear harmonic oscillators having: the temperature dependent masses; temperature dependent frequencies; and temperature dependent masses and frequencies differ from each other and from that of the system consisting of quantum linear harmonic oscillators, and hence, the system consisting of classical linear harmonic oscillators describes well the thermodynamic properties of the system consisting of quantum linear harmonic oscillators and solids.

In two dimensional disordered lattices, presence of interaction makes particles less localized than the non-interacting ones within the range of disorder strength W ≤ 4 and interaction strength V ≤ 4. If the interaction strength is higher, then particles localize more. Although, a localization-delocalization transition is not found, a transition with changes in the dominant correlations is observed. The nature of correlations between the particles as nearest neighbors become dominant beyond certain disorder strengths.

Recently Li et al (2019 Nature 572 624) discovered a new type of oxide superconductor Nd_0.8Sr_0.2NiO₂ with T_c = 14 K. To classify superconductivity in this infinite-layer nickelate experimental upper critical field, B_c2(T), and the self-field critical current densities, J_c(sf,T), reported by Li et al (2019 Nature 572 624), are analysed in assumption of s-, d-, and p-wave pairing symmetries and single- and multiple-band superconductivity. Based on deduced the ground-state superconducting energy gap, Δ(0), the London penetration depth, λ(0), the relative jump in electronic specific heat at T_c, ΔC/C, and the ratio of 2Δ(0)/k_BT_c, we conclude that Nd_0.8Sr_0.2NiO₂ is type-II high-κ weak-coupled single-band s-wave superconductor.

A classical model is presented for persistent currents in superconductors. Their existence is argued to be warranted because their decay would violate the second law of thermodynamics. This conclusion is achieved by analyzing comparatively Ohm's law and the Joule effect in normal metals and superconducting materials. Whereas Ohm's law applies in identical terms in both cases, the Joule effect is shown to cause the temperature of a superconducting sample to \textit{decrease}. An experiment is proposed to check the validity of this work in superconductors of both types I and II.

For crystal periodic structure prediction, a new and concise approach based on the principles of statistical physics was employed to derive a new form of the equation to determine their period vectors (cell edge vectors), under general external stress. Then the new form is applicable to both classical physics and quantum physics. It also turned out to be the equation of state and the mechanical equilibrium condition for crystals under external stress and temperature. It should be helpful in piezoelectric and piezomagnetic studies, as the period vectors were changed by the external stress. For linear elastic crystals, it is actually also the microscopic but temperature-dependent form of the generalized Hooke's law, then can be used to calculate the corresponding elastic constants of the law, for given temperatures.

In the present work we revise and extend the Characteristic Crystallographic Element (CCE) norm, an algorithm used to simultaneously detect radial and orientational similarity of computer-generated structures with respect to specific reference crystals and local symmetries. Based on the identification of point group symmetry elements, the CCE descriptor is able to gauge local structure with high precision and finely distinguish between competing morphologies. As test cases we use computer-generated monomeric and polymer systems of spherical particles interacting with the hard-sphere and square-well attractive potentials. We demonstrate that the CCE norm is able to detect and differentiate, between others, among: hexagonal close packed (HCP), face centered cubic (FCC), hexagonal (HEX) and body centered cubic (BCC) crystals as well as non-crystallographic fivefold (FIV) local symmetry in bulk 3-D systems; triangular (TRI), square (SQU) and honeycomb (HON) crystals, as well as pentagonal (PEN) local symmetry in thin films of one-layer thickness (2-D systems). The descriptor is general and can be applied to identify the symmetry elements of any point group for arbitrary atomic or particulate system in two or three dimensions, in the bulk or under confinement.

The Computational theoretical techniques using first principle which make use of the density functional theory as implemented by quantum expresso as well as inter – atomic force constant (IFC) techniques (Born-von Jarman) were used to investigate the phonon dispersion curves of Silver (Ag) and Gold (Au) The results obtained show that for Au, the extension to 1 – 6^th neighbour gave slightly close agreement with the experimental phonon dispersions when compared to the 1 – 5^th neighbor at W_T and L_L symmetry points. The percentage error for Au at W_T are 2.5% and 2.9% ; at point L_L we obtained 0.6% and 0.7% respectively. The Local density Approximation (LDA) results for Ag underestimates the lattice with about 1.6% while the Generalized Gradient Approximation (GGA) overestimates it by 1.9%.

We numerically study surface models defined on hexagonal disks with a free boundary. 2D surface models for planer surfaces have recently attracted interest due to the engineering applications of functional materials such as graphene and its composite with polymers. These 2D composite meta-materials are strongly influenced by external stimuli such as thermal fluctuations if they are sufficiently thin. For this reason, it is very interesting to study the shape stability/instability of thin 2D materials against thermal fluctuations. In this paper, we study three types of surface models including Landau-Ginzburg (LG) and Helfirch-Polyakov models defined on triangulated hexagonal disks using the parallel tempering Monte Carlo simulation technique. We find that the planer surfaces undergo a first-order transition between the smooth and crumpled phases in the LG model and continuous transitions in the other two models. The first-order transition is relatively weaker compared to the transition on spherical surfaces already reported. The continuous nature of the transition is consistent with the reported results, although the transitions are stronger than that of the reported ones.

In this work, we analytically describe a superconducting transition in a non-equilibrium state taking into account many-body interactions; the obtained transition temperatures indicate the presence of superconductivity at room temperatures.First, we consider many-body interactions and discuss the case of locally thermal equilibrium with many-body interactions; in this section, we derive statistical equations that describe many-body interactions at locally thermal equilibrium state. Then, the same theory is used to derive a many-body statistical equation that is expanded to include the case of non-equilibrium states; in this case a transition temperature is derived. Moreover, a wave function of an Einstein–Podolsky–Rosen pair (EPR pair) is calculated according to the Lorentz conservation, and a specific condensation is observed and the Meissner effect is found to be present.Furthermore, considering the Lorentz conservations, relativistic energy, and Boltzmann statistics, algorithms are presented to calculate charge density, current density, and internal local energy. We note that these calculations do not require a specific code but instead utilize the software Microsoft Excel.We present plots showing the charge density and current density vs. the applied electric potential, which demonstrate the practical applicability of the theory. Moreover, internal local energy was found to be close to zero for sufficiently large electric potentials at room temperature.In the discussion section, the universally induced superconducting current is derived, which can be employed as the renewable energy.This paper describes non-equilibrium and EPR-pair type superconductivity, with the complete consideration of many-body interactions.

The one-dimensional gas of bosons interacting via a repulsive contact potential was solved long ago via Bethe's ansatz by Lieb and Liniger [Phys. Rev. {\bf 130}, 1605 (1963)]. The low energy excitation spectrum is a Luttinger liquid parametrized by a conformal field theory with conformal charge $c=1$. For higher energy excitations the spectral function displays deviations from the Luttinger behavior arising from the curvature terms in the dispersion. Adding a corrective term of the form of a mobile impurity coupled to the Luttinger liquid modes corrects this problem. The ``impurity'' term is an irrelevant operator, which if treated non-perturbatively, yields the threshold singularities in the one-particle and one-hole hole Green's function correctly. We show that the exponents obtained via the finite size corrections to the ground state energy are identical to those obtained through the shift function.

It has been suggested that the measured magnetic properties of hydrides under pressure claimed to be high temperature superconductors indicate that the materials are granular superconductors. Such materials will show reduced or no magnetic field expulsion under field cooling, and will trap magnetic fields when the external magnetic field is removed. They will also exhibit hysteretic behavior in magnetoresistance and other transport properties. Here we point out that hysteresis in transport properties has never been reported for hydrides under pressure. Its presence, with the expected features, would indicate that the materials trap magnetic flux, hence that they can sustain persistent currents without dissipation, something that all superconductors can do. Conversely, its absence would indicate that these materials are not superconductors.

Helmholtz energy of ice VII-X is determined in a pressure regime extending to 450 GPa at 300 K using local basis functions in the form of b splines. The new representation for the equation of state is embedded in a physics-based inverse theory framework of parameter estimation. Selected pressures as a function of volume from 14 prior experimental studies and two theoretical studies constrain the behavior of Helmholtz energy. Separately measured bulk moduli, not used to construct the representation, are accurately replicated below about 20 GPa and above 60 GPa. In the intermediate range of pressure, the experimentally determined moduli are larger and have greater scatter than values predicted using the Helmholtz representation. Although systematic experimental error in the experimental elastic moduli is possible and likely, the alternative hypothesis is a slow relaxation time associated with changes in proton mobility or the ice VII to X transition. A correlation is observed between anomalies in the pressure derivative of the predicted bulk modulus and previously suggested higher-order phase transitions. Improved determinations of elastic properties at high pressure would allow refinement of the current equation of state. More generally, the current method of data assimilation is broadly applicable to other materials in high-pressure studies.

The notion of the informational measure of symmetry is introduced according to: HsymG=-i=1kPGilnPGi, where PGi is the probability of appearance of the symmetry operation Gi within the given 2D pattern. HsymG is interpreted as an averaged uncertainty in the presence of symmetry elements from the group G in the given pattern. The informational measure of symmetry of the “ideal” pattern built of identical equilateral triangles is established as HsymD3=1.792. The informational measure of symmetry of the random, completely disordered pattern is zero, Hsym=0. Informational measure of symmetry is calculated for the patterns generated by the P3 Penrose tessellation. Informational measure of symmetry does not correlate neither with the Voronoi entropy of the studied patterns nor with the continuous measure of symmetry of the patterns.

The response of the Cold-Electron Bolometers (CEBs), integrated into a 2-D array of dipole antennas, has been measured by irradiation from YBa$_2$Cu$_3$O$_{7-\delta}$ (YBCO) 50 $\mu$m long Josephson junction into the THz region at frequencies from 0.1 to 0.8 THz. The possibility of controlling the amplitude-frequency characteristic is demonstrated by the external magnetic field in the traveling wave regime of a long Josephson junction. YBCO junction has been formed on the bicrystal Zr$_{1-x}$Y$_x$O$_2$ (YSZ) substrate by magnetron sputtering and etching of the film. CEBs have been fabricated using an Al multilayer structure by a self-aligned shadow evaporation technique on Si substrate. Both receiver and oscillator have been located inside the same cryostat at 0.3K and 2.7K plates, respectively.

Soft-matter systems when driven out-of-equilibrium often give rise to structures that usually lie in-between the macroscopic scale of the material and microscopic scale of its constituents. In this paper we review three such systems, the two-dimensional square-lattice Ising model, the Kuramoto model and the Rayeligh-Bénard convection system which when driven out-of-equilibrium give rise to emergent spatio-temporal order through self-organization. A common feature of these systems is that the entities that self-assemble are coupled to one another in some way, either through local interactions or through a continuous media. Therefore, the general nature of non-equilibrium fluctuations of the intrinsic variables in these systems are found to follow similar trends as order emerges. Through this paper, we attempt to look for connections between among these systems and systems in general which give rise to emergent order when driven out-of-equilibrium.

Real-time evolution of the electron densities under excitations in La₂CuO₄ was calculated by the time-dependent density functional theory (TDDFT). The author found, for the first time, under excitations, the electron cloud of Cu²⁺ changes obviously and the characteristic frequencies are 83 meV and 36 meV, respectively, for two different modes. The results are unexpected and close to that of lattice vibrations. The results show that the electron cloud of Cu²⁺ (just like the lattice) can be the electron-pairing medium in high temperature copper oxide superconductors.

Two-dimensional (2D) materials have been a research hot topic in the passed decades due to their unique and fascinating properties. Among them, mechanical properties plays an important role for their application. However, there lacks an effective tool for high-throughput calculating, analysing and visualizing the mechanical properties of 2D materials. In this work, we present, mech2d package, a highly automated toolkit for calculating and analysing second-order elastic constants (SOECs) tensor and relevant properties of 2D materials with considering their symmetry. In the mech2d, the SOECs can be fitted by both strain-energy and stress-strain approach, where the energy or strain can be calculated by first-principles engine, such as VASP. As a key feature, the mech2d package can automatically submit and collect the tasks from local or remote machine with robust fault-tolerant ability, make it suitable for high-throughput calculation. The present code has been validated by several common 2D materials, including graphene, black phosphorene, GeSe2 and so on.

Room temperature superconductivity has recently been reported for a carbonaceous sulfur hydride (CSH) under high pressure by Snider et al [1]. The paper reports sharp drops in magnetic susceptibility as a function of temperature for five different pressures, that are interpreted as signaling a superconducting transition. Here I question the validity and faithfulness of the magnetic susceptibility data presented in the paper by comparison with the measured raw data reported by two of the authors of ref. [2]. This invalidates the assertion of the paper [1] that the susceptibility measurements support the case for superconductivity in this compound.

Phase transitions- both in the classical and in the quantum version- are the perfect playground for appreciating universality at work. Indeed, the fine details become unimportant and a classification in very few universality classes is possible. Very recently, a striking deviation from this picture has been discovered: some antiferromagnetic spin chains with competing interactions show a different set of phase transitions depending on the parity of number of spins in the chain. The aim of this article is to demonstrate that the same behavior also characterizes the most simple quantum spin chain: the Ising model in a transverse field. By means of an exact solution based on a Wigner-Jordan transformation, we show that a first order quantum phase transition appears at zero applied field in the odd spin case, while it is not present in the even case. A hint of a possible physical interpretation is given by the combination of two fact: at the point of the phase transition, the degeneracy of the ground state in the even and the odd case substantially differ, being respectively 2 and 2N, with N the number of spins; the spin of the most favorable kink states changes at that point.

One-Dimensional Solar Cell Capacitance Simulator (1D-SCAPS) and n-i-p planar configuration have been employed for the simulation of the caesium tin iodide (CsSnI₃)-based perovskite solar cell (PSC) with titanium (IV) oxide (TiO₂) and copper thiocyanate (CuSCN) as the electron and hole transport materials respectively. The results obtained for the initially modeled PSC compared well with similar devices in the literature but marred with high recombination rate. As such, the defect density in the CsSnI₃ absorber was varied from 10¹³ cm^-3 to 10¹⁷ cm^-3 and enriched with SnCl₂ (additive) and Br⁻(dopant) respectively. This strategy ensured a reduced concentration of Sn⁴⁺ vacancy (V_Sn) in the CsSnI₃ absorber with improved carrier lifetime and diffusion length beyond 0.05 ns and 1.1µm by a magnitude of the order of 10³ and 10² respectively for the enriched CsSnI₃ –based PSC. For the optimized PSC, we recorded V_OC=1.289 V, J_SC=32.60 mA.cm^-2, FF=83.56% and PCE=35.12%.

In this review, we trace the evolution of the quantum spin-wave theory treating non-collinear spin configurations. Non-collinear spin configurations are consequences of the frustration created by competing interactions. They include simple chiral magnets due to competing nearest-neighbor (NN) and next-NN interactions and systems with geometry frustration such as the triangular antiferromagnet and the Kagomé lattice. We review here spin-wave results of such systems and also systems with the Dzyaloshinskii-Moriya interaction. Accent is put on these non-collinear ground states which have to be calculated before applying any spin-wave theory to determine the spectrum of the elementary excitations from the ground states. We mostly show results from a self-consistent Green’function theory to calculate the spin-wave spectrum and the layer magnetizations at finite T in two and three dimensions as well as in thin films with surface effects. Some new unpublished results are also included. Analytical details and the validity of the method are shown and discussed.

The thermal lubrication of an entangled polymeric liquid in wall-driven shear flows between parallel plates is investigated by using a multiscale hybrid method coupling molecular dynamics and the hydrodynamics (i.e., the synchronized molecular dynamics method). The temperature of the polymeric liquid rapidly increases due to viscous heating once the drive force exceeds a certain threshold value. The rheological properties of the polymeric liquid drastically change at around the critical drive force. In the weak viscous-heating regime, the conformation of polymer chains is dominated by the local shear flow so that the anisotropy of the bond orientation tensor grows as the drive force increases. However, in the large viscous-heating regime, the conformation dynamics is dominated by the thermal agitation of polymer chains so that the bond orientation tensor recovers more uniform and random structures as the drive force increases, even though the local shear flows are further enhanced. Remarkably, these counter-intuitive transitional behaviors give an interesting re-entrant transition in the stress--optical relation, where a linear formalism in the stress--optical relation approximately holds even though each of the macroscopic quantities behaves nonlinearly. The robustness of the linear stress--optical relation is also confirmed in the spatiotemporal evolution at the hydrodynamic level.

We summarize the results on electron transport in hybrid superconducting S/B/S' mesa-structure consisted of the oxide epitaxial S/B heterostructures, where S is the cuprate YBa2Cu3O 7-x superconductor, B – an interlayer with the spin dependent characteristics, and S’ is the Nb top superconductor. Josephson effect was observed manifested in appearance of oscillating Shapiro steps amplitudes with microwave signal power due to synchronization of junction self-generation of electromagnetic radiation and the external microwave probe signal. Triplet component of superconducting correlations emerged when the interlayer comprised two magnetic materials SrRuO3 and La0.7Sr0.3MnO3 with non-collinear magnetizations as well in the case of antiferromagnetic insulator Sr2IrO4 characterized by strong spin-orbit interaction. Thickness of the interlayer in the both cases considerably exceeded the coherence length of the magnetic spin active interlayer hinting on appearance of long-range proximity effect and spin-triplet superconducting current. Magnetic field dependences measured at dc, and the existence of the second harmonic in superconducting current–phase relation revealed by measurements at microwave frequencies will be discussed.

Using first-principles molecular dynamics (FPMD), we performed numerical simulations at 300 K to explore the interaction of a 2D MoS2 surface and a platinum atom, calculating the optical properties of the resulting material. The pristine MoS2 is a semiconductor with a gap of around 1.8 eV. The Pt atom is chemisorbed by the surface with an adsorption energy of −1.718 eV. With the adsorption of the Pt atom, the material remains a semiconductor, and its energy band gap reduces to 1.04 eV. But changes in the material's energy band structure imply substantial changes in its optical properties. The energy band structure of the 2D MoS2 with a sulfur vacancy VS shows that the material becomes a conductor, and there are significant changes in its optical properties. We also found that the Pt atom chemisorbs in a sulfur vacancy of the material, with an adsorption energy of −4.1164 eV. After the adsorption of Pt atoms in the sulfur vacancy, the material becomes a semiconductor with a band gap of 1.06 eV, and the changes in the optical absorption and reflectivity are significant.

Thermal shape memory polymers (SMPs) find increasing applications in biology and medicine due to their promising potential for improved biocompatibility. In such applications, the inevitable penetration of small molecules from the ambient fluid into the polymer influences the shape recovery process and often leads to a reduction of the temperature, at which shape recovery takes place. We show here via molecular dynamics simulations that the size of additive molecules plays a key role for this process. While the effect of concentration on the recovery rate is monotonic in the investigated range, a non-monotonic dependence on the size of additive molecules emerges at temperatures close to the glass transition. This work thus identifies the additives’ size to be a qualitatively novel parameter for switching the recovery process in polymer-based shape memory materials.

The development of novel coherent and brilliant sources, such as soft X-ray Free Electron Laser (FEL) and High Harmonic Generation (HHG) enables new ultrafast analysis of the electronic and structural dynamics of a wide variety of materials. Soft X-ray FEL delivers high brilliance beams with short pulse duration, high spatial coherence and photon energy tunability. In com-parison with FELs, HHG X-ray sources are characterized by a wide spectral bandwidth and few to sub-femtosecond pulses. The approach will lead to time-resolved reconstruction of molecular dynamics, shedding light on different photochemical pathways. The high peak brilliance of soft X-ray FELs facilitates investigations in nonlinear regime, while the broader spectral bandwidth of the HHG sources may provide the simultaneous probing of multiple components. Significant technical breakthroughs in these novel sources are under way to improve brilliance, pulse dura-tion, and to control spectral bandwidth, spot size, and energy resolution. Therefore, in the next few years, the new generation of soft X-ray sources combined with novel experimental tech-niques, new detectors, and computing capabilities will allow the study of several extremely-fast dynamics, such as vibronic dynamics. In the present review, we shortly discuss recent devel-opments in experiments, performed with soft X-ray FELs and HHG sources, operating near car-bon K-absorption edge, being a key atomic component in biosystems and soft materials. Differ-ent spectroscopy methods such as time-resolved pump-probe techniques, nonlinear spectrosco-pies and photoelectron spectroscopy studies have been addressed in an attempt of a better un-derstanding of fundamental physico-chemical processes

Droplet epitaxy allows the efficient fabrication of a plethora of 3D, III-V-based nanostructures on different crystalline orientations. Quantum dots grown on (311)A-oriented surface are obtained with record surface density, with or without a wetting layer. These are appealing features for quantum-dot lasing, thanks to the large density of quantum emitters and a truly 3D lateral confinement. However, the intimate photophysics of this class of nanostructures has not yet been investigated. Here we address the main optical and electronic properties of s-shell excitons in individual quantum dots grown on (311)A substrates with photoluminescence spectroscopy experiments. We show the presence of neutral exciton and biexciton as well as positive and negative charged excitons. We investigate the origins of spectral broadening, identifying them in spectral diffusion at low temperature and phonon-interaction at higher temperature, the presence of fine interactions between electron and hole spin, and a relevant heavy-hole/light-hole mixing. We interpret the level filling with a simple Poissonian model reproducing the power excitation dependence of the s-shell excitons. These results are relevant for the further improvement of this class of quantum emitters and their exploitation as single photon sources for low density samples as well as for efficient lasers for high density samples.

Organic-organic interactions play important roles in the secondary organic aerosol formation, but the interactions are complex and poorly understood. Here we use environmental molecular beam experiments combined with molecular dynamics simulations to investigate the interactions between methanol and nopinone, as atmospheric organic proxies. In the experiments, methanol monomers and clusters are sent to collide with three types of surfaces, i.e., graphite, thin nopinone coating on graphite and multilayer surfaces, at temperatures between 140 K and 230 K. Methanol monomers are efficiently scattered from the graphite surface, whereas the scattering is substantially suppressed from nopinone surfaces. The desorption from the three surfaces is similar, suggesting that all the surfaces have weak or similar influences on the methanol desorption. The molecular dynamics results show that upon collisions the methanol clusters shatter, and the shattered fragments quickly diffuse and recombine to clusters. The desorption involves a series of processes, including detaching from clusters and desorbing as monomers. The experimental results also show that all trapped methanol molecules completely desorb within a short experimental time scale at temperatures of 180 K and above. At lower temperatures, the desorption rate decreases, and a long experimental time scale is used to resolve the desorption, where three desorption components are identified. The fast component is beyond the experimental detection limit. The intermediate component exhibits multi-step desorption character and has an activation energy of E_a = 0.18 ± 0.03 eV, in good agreement with simulation results. The slow desorption component is related to diffusion processes due to the weak temperature dependence.

In this paper, we have constructed a WKB approximation for graphene having a Y-shaped Kekul\'e lattice distortion and a special folding of the $\mbox{\boldmath$K$}$ and $\mbox{\boldmath$K$}^\prime$ valleys, which leads to very specific linear energy dispersions with two non-equivalent pairs of subbands. These obtained semi-classical results, which include the action, electron momentum and wave functions, are utilized to analyze the dynamics of electron tunneling through non-square potential barriers. In particular, we explore resonant scattering of an electron by a potential barrier built on Kekul\'e-distorted graphene. Mathematically, a group of consecutive equations for a semi-classical action have been solved by following a perturbation approach under the condition of small strain-induced coupling parameter $\Delta_0 \ll 1$ (a good fit to its actual value $\Delta_0 \backsim 0.1$). Specifically, we consider a generalized model for Kek-Y graphene with two arbitrary Fermi velocities. The dependence of the electron transmission amplitude on the potential profile $V(x)$ and band parameters of Kekul\'e-patterned graphene has been explored and analyzed in details.

We report the negative effective mass metamaterials based on the electro-mechanical coupling exploiting plasma oscillations of a free electron gas. The negative mass appears as a result of vibration of a metallic particle with a frequency of ω which is close the frequency of the plasma oscillations of the electron gas m_2 relatively to the ionic lattice m_1. The plasma oscillations are represented with the elastic spring k_2=ω_p^2 m_2, where ω_p is the plasma frequency. Thus, the metallic particle vibrated with the external frequency ω is described by the effective mass m_eff=m_1+(m_2 ω_p^2)/(ω_p^2-ω^2 ) , which is negative when the frequency ω approaches ω_p from above. The idea is exemplified with two conducting metals, namely Au and Li.

In the face of the upcoming 30th anniversary of econophysics, we review our contributions and other related works on the modeling of the long–range memory phenomenon in physical, economic, and other social complex systems. Our group has shown that the long–range memory phenomenon can be reproduced using various Markov processes, such as point processes, stochastic differential equations and agent–based models. Reproduced well enough to match other statistical properties of the financial markets, such as return and trading activity distributions and first–passage time distributions. Research has lead us to question whether the observed long–range memory is a result of actual long–range memory process or just a consequence of non–linearity of Markov processes. As our most recent result we discuss the long–range memory of the order flow data in the financial markets and other social systems from the perspective of the fractional Lèvy stable motion. We test widely used long-range memory estimators on discrete fractional Lèvy stable motion represented by the ARFIMA sample series. Our newly obtained results seem indicate that new estimators of self–similarity and long–range memory for analyzing systems with non–Gaussian distributions have to be developed.

Based on the foundations of thermodynamics and the equilibrium conditions for the coexistence of two phases in a magnetic Ising-like system, we show, first, that there is a critical point where the isothermal susceptibility diverges and the specific heat may remain finite, and second, that near the critical point the entropy of the system, and therefore all free energies, do obey scaling. Although we limit ourselves to such a system, we elaborate about the possibilities of finding universality, as well as the precise values of the critical exponents using thermodynamics only.

Cohesion in the refractory metals Cr, Mo, and W is phenomenologically described in this work via a n-body energy functional with a set of physically motivated parameters that were optimized to reproduce selected experimental properties characteristic of perfect and defective crystals. The functional contains four terms accounting for the hard-core repulsion, the Thomas-Fermi kinetic energy repulsion and for contributions to the binding energy of s and d valence electrons. Lattice dynamics, molecular statics, and molecular dynamics calculations show that this model describes satisfactorily thermodynamic properties of the studied metals whereas, unlike other empirical approaches from the literature, predictions of phonon dispersion relations and of surface and point defect energetics reveal in fair good agreement with experiments. These results suggest that the present model is well adapted to large-scale simulations and whenever total energy calculations of thermodynamic properties are unfeasible

We present the results on photothermal (PT) and heat conductive properties of nanogranular silicon (Si) films synthesized by evaporation of colloidal droplets (drop-casting) of 100 ± 50 nm sized crystalline Si nanoparticles (NP) deposited on glass substrates. Finite difference time domain (FDTD) and finite element mesh (FEM) modeling of absorbed light intensity and photo-induced spatial temperature distribution across the Si NP films were well correlated with the local temperatures measured by micro-Raman spectroscopy and used for determination of heat conductivities in the films of various thicknesses. Cubic-to-hexagonal phase transition in these films caused by laser heating was found to be heavily influenced by the film thickness and heat conductive properties of glass substrate, on which the films were deposited. Heat conductivities across the drop-casted Si nanogranular films were found to be in the range of lowest heat conductivities of other types of nanostructurely voided Si films due to enhanced phonon scattering across inherently voided topology, weak NP-NP and NP-substrate interface bonding within nanogranular Si films.

The objective of this paper is to investigate the convergence of coupling-parameter expansion-based solutions to Ornstein-Zernike equation in liquid state theory. The analytically solved Baxter's adhesive hard sphere model is analyzed first using coupling-parameter expansion. It is found that the expansion provides accurate approximations to solutions - including the liquid-vapor phase diagram - in most parts of the phase plane. However, it fails to converge in the region where the model has only complex solutions. Similar analysis and results are, then, obtained using analytical solutions within the mean spherical approximation for the hard-core Yukawa potential. Next, convergence of the expansion is analyzed for the Lennard-Jonnes potential using an accurate density-dependent bridge function in the closure relation. Numerical results are presented which show convergence of correlation functions, compressibility versus density profiles, etc., in the single as well as two phase regions. Computed liquid-vapor phase diagrams, using two independent schemes employing the converged profiles, compare excellently with simulation data. Results obtained for the generalized Lennard-Jonnes potential, with varying repulsive exponent, also compare well with simulation data. All these results together establish the coupling-parameter expansion as a practical tool for studying single component fluid phases modeled via general pair-potentials.

As shown previously, a relation between the superconducting transition temperature and some characteristic distance in the crystal lattice holds, which enables the calculation of the superconducting transition temperature, Tc, based only on the knowledge of the electronic configuration and of some details of the crystallographic structure. This relation was found to apply for a large number of superconductors, including the high-temperature superconductors, the iron-based materials, alkali fullerides, metallic alloys, and element superconductors. When applying this scheme called Roeser-Huber formula to Moiré-type superconductivity, i.e., magic-angle twisted bi-layer graphene (tBLG) and bi-layer WSe2, we find that the calculated transition temperatures for tBLG are always higher than the available experimental data, e.g., for the magic angle 1.1∘, we find Tc≈ 4.2–6.7 K. Now, the question arises why the calculation produces larger Tc’s. Two possible scenarios may answer this question: (1) The given problem for experimentalists is the fact that for electric measurements always substrates/caps are required to arrange the electric contacts. When now discussing superconductivity in atomically thin objects, also these layers may play a role forming the Moiré patterns. The consequence of such substrate-induced super-Moiré patterns is that the resulting Moiré pattern always will show a larger cell size, and thus, a lower Tc of the final structure will result. (2) A correction factor to the Roeser-Huber formalism may be required to account for the low charge carrier density of the tBLG. Here, we test both scenarios and find that the introduction of a correction factor η enables a proper calculation of Tc, reproducing the experimental data. We find that η depends exponentially on the value of Tc.

Laser irradiation of metals is widely used in research and applications. In this work, we study how the material geometry affects electron-phonon coupling in nano-sized gold samples: an ultrathin layer, nano-rod, and two types of gold nanoparticles: cubic and octahedral. We use the combined tight-binding molecular dynamics Boltzmann collision integral method implemented within XTANT-3 code to evaluate the coupling parameter in irradiation targets at high electronic temperatures (up to Te~20,000 K). Our results show that the electron-phonon coupling in all objects with the same fcc atomic structure (bulk, layer, rod, cubic and octahedral nanoparticles) is nearly identical at electronic temperatures above Te~7000 K, independently of geometry and dimensionality. At low electronic temperatures, reducing dimensionality reduces the coupling parameter. Additionally, nano-objects under ultrafast energy deposition experience nonthermal damage due to expansion caused by electronic pressure, in contrast to bulk metal. Nano-object ultrafast expansion leads to ablation/emission of atoms, and disorder inside of the remaining parts. These nonthermal atomic expansion and melting are significantly faster than electron-phonon coupling, forming a dominant effect in nano-sized gold.

Eliashberg theory provides a theoretical framework for understanding the phenomenon of superconductivity when pairing between two electrons is mediated by phonons, and retardation effects are fully accounted for. However, when a direct Coulomb interaction between two electrons is also present, this interaction is only partially accounted for. In this work we use a well-defined Hamiltonian, the Hubbard-Holstein model, to examine this competition more rigorously, using exact diagonalization on a two-site system. We find that the direct electron-electron repulsion between two electrons has a significantly more harmful effect on pairing than suggested through the standard treatment of this interaction.

The X-ray induced spin crossover transition of an Fe(II) molecular thin film in the presence and absence of a magnetic field has been investigated. The thermal activation energy barrier in the soft X-ray activation of the spin crossover transition for [Fe{H2B(pz)2}2(bipy)] molecular thin films is reduced in the presence of an applied magnetic field, as measured through X-ray absorption spectroscopy at various temperatures. The influence of a 1.8 T magnetic field is sufficient to cause deviations from the expected exponential spin state transition behavior that is measured in the field free case. We find that orbital moment diminishes with increasing temperature, relative to the spin moment in the vicinity of room temperature.

Heusler Ni-Mn-Ga alloys with martensitic transformation being multiferroic materials are touted for magneto- and multi-caloric effect (MCE) and moreover, they exhibit magnetic shape memory (MSM) phenomena. MCE benefits from high saturation magnetization and also large variability and sensitivity of transformation temperatures on alloying. In contrast, MSM phenomena are limited by low temperatures of both ferromagnetic and ferroelastic transformations. In an attempt to increase the transformation temperatures and to understand the physical fundamentals beyond transformation variations and magnetic ordering, we experimentally investigate the magnetic and transformation properties in Ni2MnGa alloyed with transitional elements spanning from Cr to Cu. These elements are consecutively substituted on Ni, Mn, and Ga sites, to establish the effect of positional substitution and elemental evolution. The elemental dependence of saturation magnetization, magnetocrystalline anisotropy, Curie temperature, and martensitic transformation temperatures are compared with (non-)stoichiometric Ni-Mn-Ga Heusler compounds. The observed behavior is complex and there are no clear trends of transformation temperatures as a function of the number of valence (non-bonding) electrons per atom, however, the saturation magnetization at 10K and Curie temperature seems to follow the Pauli-Slater curve. Obtained results can serve as useful rectification for the theoretical prediction of new Ni-Mn-Ga-X Heusler alloys.

Josephson junctions (JJs) in the presence of a magnetic field exhibit qualitatively different interference patterns depending on the spatial distribution of the supercurrent through the junction. In JJs based on two-dimensional topological insulators (2DTIs), the electrons/holes forming a Cooper pair (CP) can either propagate along the same edge or be split into the two edges. The former leads to a SQUID-like interference pattern, with the superconducting flux quantum $\phi_0$ (where $\phi_0=h/2e$) as a fundamental period. If CPs’ splitting is additionally included, the resultant periodicity doubles. Since the edge states are typically considered as being strongly localized, the critical current does not decay as a function of the magnetic field. Here we go beyond this approach and inspect a topological JJ in the tunneling regime featuring extended edge states. We consider the possibility that the two electrons of a CP propagate and explore the junction independently over length scales comparable with the superconducting coherence length. As a consequence of the spatial extension, we obtain a decaying pattern with different possible periods. In particular, we show that, if crossed Andreev reflections (CARs) are dominant and the edge states overlap, the resulting interference pattern features oscillations whose periodicity approaches $2\phi_0$.

The present overview of spin-dependent phenomena in nonmagnetic semiconductor microparticles (MPs) and nanoparticles (NPs) with interacting nuclear and electron spins is aimed at covering a gap between the basic properties of spin behavior in solid-state systems and a tremendous growth of the experimental results on biomedical applications of those particles. The first part of the review represents modern achievements of spin-dependent phenomena in the bulk semiconductors from the theory of optical spin orientation under indirect optical injection of carriers and spins in the bulk crystalline silicon (c-Si) – via numerous insightful findings in the realm of characterization and control through the spin polarization – to the design and verification of nuclear spin hyperpolarization in semiconductor MPs and NPs for magnetic resonance imaging (MRI) diagnostics. The second part of the review is focused on the electron spin-dependent phenomena in Si-based nanostructures, including the photosensitized generation of singlet oxygen in porous Si and design of Si NPs with unpaired electron spins as prospective contrast agents in MRI. The experimental results are analyzed by considering both the quantum mechanical approach and several phenomenological models for the spin behavior in semiconductor/molecular systems. Advancements and perspectives of the biomedical applications of spin-dependent properties of Si NPs for diagnostics and therapy of cancer are discussed.

Structure quality of LuFeO3 epitaxial layers grown by pulsed-laser deposition on sapphire substrates with and without platinum interlayers has been investigated by in-situ high-resolution x-ray diffraction (reciprocal-space mapping). The parameters of the structure such as size and misorientation of mosaic blocks have been determined as functions of the thickness of LuFeO3 during the PLD growth and for different platinum interlayers thicknesses up to 40 nm. The x-ray diffraction results combined with ex-situ scanning electron microscopy and high-resolution transmission electron microscopy demonstrate that the Pt interlayer significantly improves the structure of LuFeO3 by reducing the misfit of the LuFeO3 lattice with respect to the material underneath.

We explore the implementation of specific optical properties of armchair graphene nanoribbons (AGNRs) through edge-defect manipulation. This technique employs the tight-binding model in conjunction with the calculated absorption spectral function. Modification of the edge states gives rise to the diverse electronic structures with striking changes in the band gap and special flat bands at low energy. The optical-absorption spectra exhibit exotic excitation peaks and they strongly depend on the type and period of the edge extension. Remarkably, there exist the unusual transition channels associated with the flat bands for selected edge-modified systems. We discover the special rule governing how the edge-defect influences the electronic and optical properties in AGNRs. Our theoretical prediction demonstrates an efficient way to manipulate the optical properties of AGNRs. This might be of importance in the search for suitable materials designed to have possible technology applications in nano-optical, plasmonic and optoelectronic devices.

We investigate the tunneling of quasiparticles through a potential barrier of finite height and width, in a system with a band structure consisting of a quadratic band crossing point (QBCP). We compute the results of the transmission coefficient at various incident angles, and also the conductivity and the Fano factor. We discuss the distinguishing signatures of these transport properties in comparison with other semimetals, as well as electrons in normal metals.

Motivated by experiments, we undertake an investigation of electronic structure reconstruction and its link to electrodynamic responses of monoclinic MoO$_2$. Using a combination of LDA band structure with DMFT for the subspace defined by the physically most relevant Mo $4d$-bands, we unearth the importance of multi-orbital electron interactions to MoO$_2$ parent compound. Supported by a microscopic description of quantum capacity we identify the implications of many-particle orbital reconstruction to understanding and evaluating voltage-capacity profiles intrinsic to MoO$_2$ battery material. Therein, we underline the importance of the dielectric function and optical conductivity in the characterisation of existing and candidate battery materials.

We propose an experimental method for the unidirectional excitation of spin waves. By structuring Au nanowires arrays within a coplanar waveguide onto a thin yttrium iron garnet (YIG) film, we observe a chiral coupling between the excitation field geometry of the nanowires grating and several well-resolved propagating magnon modes. We report a propagating spin wave spectroscopy study with unprecedented spectral definition, wavelengths down to 130 nm and attenuation lengths well above the 100 μm over the 20 GHz frequency band. The proposed experiment paves the way for future non-reciprocal magnonic devices.

In magneto-photoluminescence (magneto-PL) spectra of quasi-two dimensional islands (quantum dots) having seven electrons and Wigner-Seitz radius rs~1.5, we revealed a suppression of magnetic field (B) dispersion, paramagnetic shifts and jumps of the energy of the emission components for filling factors >1 (B<10 T). Additionally, we observed B-hysteresis of the jumps and a dependence of all these anomalous features on rs. Using a theoretical description of the magneto-PL spectra and an analysis of the electronic structure of these dots based on the single-particle Fock-Darwin spectrum and many-particle configuration-interaction calculations, we show that these observations can be described by the rs-dependent formation of the anyon (magneto-electron) composites (ACs) involving single-particle states having non-zero angular momentum and that the anyon states observed involve Majorana modes (MMs), including zero-B modes having equal number of vortexes and anti-vortexes, which can be considered as Majorana anyons. We show that the paramagnetic shift corresponds to a destruction of the equilibrium self-formed ~5/2 AC by the external magnetic field and that the jumps and their hysteresis can be described in terms of Majorana qubit states controlled by B and rs. Our results show a critical role of quantum confinement in the formation of magneto-electrons and implies the liquid-crystal nature of fractional quantum Hall effect states, Majorana anyon origin of the states having even , i.e., composite fermions, which provide new opportunities for topological quantum computing.

Granular superconductivity at high temperatures in graphite can emerge at certain two-dimensional (2D) stacking faults (SFs) between regions with twisted (around the c-axis) or untwisted crystalline regions with Bernal (ABA...) and/or rhombohedral (ABCABCA...) stacking order. One way to observe experimentally such 2D superconductivity is to measure the frozen magnetic flux produced by a permanent current loop that remains after removing an external magnetic field applied normal to the SFs. Magnetic force microscopy was used to localize and characterize such a permanent current path found in one natural graphite sample out of ∼50 measured graphite samples of different origins. The position of the current path drifts with time and roughly follows a logarithmic time dependence similar to the one for flux creep in type II superconductors. We demonstrate that a ≃10nm deep scratch on the sample surface at the position of the current path causes a change in its location. A further scratch was enough to irreversibly destroy the remanent state of the sample at room temperature. Our studies clarify some of the reasons for the difficulties of finding a trapped flux in remanent state at room temperature in graphite samples with SFs.

The 11 system in iron-based superconducting family has become one of the most extensively studied materials in the research of high-temperature superconductivity due to their simple structure and rich physical properties. However, the research on 11 iron-based superconductors faces numerous obstacles, mainly stemming from the challenges associated with producing high-quality single crystals. Since the discovery of FeSe superconductivity in 2008, researchers have made significant progress in crystal growth, overcoming the hurdles that initially impeded their studies. Consequently, they have successfully established the complete phase diagrams of 11 iron-based superconductors, including FeSe1-xTex, FeSe1-xSx and FeTe1-xSx. In this paper, we aim to provide a comprehensive summary of the preparation methods employed for 11 iron-based single crystals over the past decade. Specifically, we will focus on hydrothermal, chemical vapor transport (CVT), self-flux, and annealing methods. Additionally, we will discuss the quality, size, and superconductivity properties exhibited by single crystals obtained through different preparation methods. By exploring these aspects, we can gain a better understanding of the advantages and limitations associated with each technique.

The direct measurements of the magnetocaloric effect were performed in Heusler Ni44.4Mn36.2Sn14.9Cu4.5 alloy at cryogenic temperatures in magnetic fields up to 10 T. The maximum value of the inverse magnetocaloric effect in a field of 10 T was observed ∆Tad = –2.7 K in the vicinity of the 1st order magnetostructural phase transition at T0 = 117 K. The ab initio and Monte Carlo calculations were performed to discuss the effect Cu doping into Ni-Mn-Sn compound on the ground state structural and magnetic properties. It is shown that with increasing Cu content the martensitic transition temperature decreases and the Curie temperature of austenite slightly increases. In general, calculated transition temperatures, magnetization values are correlated well with the experimental ones.

In this study, Fe-based superconductors (SCs) are described with a model showing a novel attractive force. First, we describe this novel force using an analog from electromagnetism. From electromagnetism, it was found that this force is a Lorentz force in which two electrons orbit around a Fe-ion with the same velocity. Then, we consider a wave function of an electron. Consequently, due to the property of the proposed attractive force and the quantum-field Hamiltonian, we clarified that the Bardeen–Cooper–Schrieffer (BCS) ground state can be reused. Afterward, attractive force energy was calculated according to the presented model. In Fe-based SCs, a structure transition is essential. Considering that the derived attractive force energy is relatively large, we employ the expanded T_c-equation from the BCS theory that includes the structure transition effect and the derived attractive force energy. In addition, we succeed in analytically reproducing T_c-dome diagrams in various types of Fe-based SCs. Moreover, we discuss the universal property a general SC should have as well as the quantum critical point.

By making periodic thru-holes in a suspended film, the phonon system can be modified. Motivated by the BCS theory, the technique -- so-called phonon engineering -- was applied to a metallic niobium sheet. It was found that its electrical resistance dropped to zero at 175 K, and the zero-resistance state persisted up to 290 K in the subsequent warming process. Despite the initial motivation, neither these high transition temperatures nor the phase transition with thermal hysteresis can be accounted for by the BCS theory. Therefore, we abandon the BCS theory. Instead, it turns out that the metallic holey sheet is partly oxidized to form a niobium-oxygen square lattice, which has points of resemblance to a copper-oxygen plane, the fundamental component of cuprate high-T_c superconductors. Therefore, the pairing mechanism underlying this study should be related to that of cuprate high-T_c superconductors, which we may not yet understand. In addition to the electrical results of zero resistance, the holey sheet exhibited a decrease in magnetization upon cooling, i.e., the Meissner effect. Moreover, the remnant magnetization was clearly detected at 300 K, which can only be attributed to persistent currents flowing in a superconducting sample. Thus, this study meets the established criteria for a conclusive demonstration of true superconductivity. Finally, the superconducting transition with the unambiguous thermal hysteresis is discussed. According to Halperin, Lubensky, and Ma, or HLM for short, any superconducting transition must always be first order with thermal hysteresis because of the intrinsic fluctuating magnetic field. The HLM theory is very compatible with the highly oriented system harboring two-dimensional superconductivity.

In this paper, using the two integers that describe the stationary 2-dimensional wave and the charge quantization along with the balance between the Lorentz force and electrical force, we succeed in deriving the fractional quantum Hall effect and the integer quantum Hall effect; we find that the latter exists as a special case of the former. Moreover, using the derived expression describing the fractional quantum Hall effect, a relationship between the plateau in the resistivity of the sample and the applied magnetic field is obtained. The findings of this model agree well with experimental measurements. Because the two integers that describe the stationary 2-dimensional wave and the charge quantization along with the force balance have concrete physical meanings in this work, we could provide a clear picture of the origin of both the integer quantum Hall effect and the fractional quantum Hall effect.

Thin films of BiFeO3 (BFO), VO2 and BFO/VO2 were grown on SrTiO3(100) and Al2O3(0001) monocrystalline substrates using the RF and DC sputtering techniques. The surface of the films was characterized by profilometry, AFM, and XPS. The heterostructures have roughnesses between 0.2 and 16 nm and a grain size between 20 nm and 67 nm. XPS measurements show a higher proportion of the V4+ and Bi3+ oxides. In the Fe region, a higher proportion of Fe3+ is shown in the films. The homogeneous ordering, low roughnesses, and the oxidation states on the obtained surface show a good coupling in these films. The I-V curves show ohmic behavior at room temperature and change with increasing temperature. The effect of coupling these materials in a thin film shows the appearance of hysteresis cycles I-V and R-T, typical of materials with high potential in applications such as resistive memories and solar cells.

In this work the general problem of the characterization of the topological phase of an open quantum system is addressed. In particular, we study the topological properties of Kitaev chains and ladders under the perturbing effect of a current flux injected into the system using an external normal lead and derived from it via a superconducting electrode. After discussing the topological phase diagram of the isolated systems, using a scattering technique within the Bogoliubov-de Gennes formulation, we analyze the differential conductance properties of these topological devices as a function of all relevant model parameters. The relevant problem of implementing local spectroscopic measurements to characterize topological systems is also addressed by studying the system electrical response as a function of the position and the distance of the normal electrode (tip). The results show how the signatures of topological order affect the electrical response of the analyzed systems, a subset of such signatures being robust also against the effects of a moderate amount of disorder. The analysis of the internal modes of the nanodevices demonstrates that topological protection can be lost when quantum states of an initially isolated topological system are hybridized with those of the external reservoirs. The conclusions of this work could be useful in understanding the topological phases of nanowire-based mesoscopic devices.

We report morpho-structural properties and charge conduction mechanisms of a foamy “graphene sponge”, having a density as low as ≈ 0.07 kg/m3 and a carbon to oxygen ratio C:O ≃ 13:1. The spongy texture analysed by scanning electron microscopy is made of irregularly-shaped millimetres-sized small flakes, containing small crystallites with a typical size of ≃ 16.3 nm. A defect density as high as ≃ 2.6×1011 cm−2 has been estimated by the Raman intensity of D and G peaks, dominating the spectrum from room temperature down to ≃ 153 K. Despite the high C:O ratio, the graphene sponge exhibits an insulating electrical behavior, with a raise of the resistance value at ≃ 6 K up to 5 orders of magnitude with respect to the room temperature value. A variable range hopping (VRH) conduction, with a strong 2D character, dominates the charge carriers transport, from 300 K down to 20 K. At T< 20 K, graphene sponge resistance tends to saturate, suggesting a temperature-independent quantum tunnelling. The 2D-VRH conduction originates from structural disorder and is consistent with hopping of charge carriers between sp2 defects in the plane, where sp3 clusters related to oxygen functional groups act as potential barriers.

Electrical properties of the thin films of poly(arylene ether ketone) copolymers (co-PAEKs) with the fraction of phthalide-containing units of 3, 5 and 50 mol% in the main chain were investigated by using radiation induced conductivity (RIC) measurements. Transient current signals and current-voltage (I-V) characteristics were obtained under exposing 20÷25 thick films of the co-PAEKs to monoenergetic electron pulses of the energy ranged from 3 to 50 keV in the electric field ranged from 5 to 40 V/μm. The Rose-Fowler-Vaisberg semi-empirical model based on a multiple trapping formalism was used for an analysis of the RIC data and the parameters of the highly dispersive charge carrier transport were evaluated. The analysis revealed that charge carriers moved in isolation from each other and the applied electric fields were below the threshold field triggering the switching effect (a reversible high-to-low resistivity transition) in the co-PAEK films. It was also found that the co-PAEK films due to the super-linear I-V characteristics are highly resistant to electrostatic discharges arising from the effects of ionizing radiation. This property is important for the development of protective coatings for electronic devices.

The experimental data in the literature concerning the Paramagnetic Meissner Effect (PME) or also called Wohlleben effect are reviewed with the emphasis on the PME exhibited by metallic, s-wave superconductors. The PME was observed in field-cool cooling (FC-C) and field-cool warming (FC-W) m(T)-measurements on Al, Nb, Pb, Ta, in compounds like e.g., NbSe2, In-Sn, ZrB12 and others and also in MgB2, the metallic superconductor with the highest transition temperature. Furthermore, samples with different shapes like crystals, polycrystals, thin films, bi- and multilayers, nanocomposites, nanowires, mesoscopic objects and porous materials exhibited the PME. The characteristic features of the PME, found mainly in Nb disks, like the characteristic temperatures T1 and Tp and the apparative details of the various magnetic measurement techniques applied to obbserve the PME are discussed. We also show that PME can be observed with the magnetic field applied parallel and perpendicular to the sample surface, that PME can be removed by abrading the sample surface and that PME can be introduced or enhanced by irradiation processes. The PME can be observed as well in magnetization loops (MHLs, m(H)) in a narrow temperature window Tp<Tc, which enables the construction of a phase diagram for a superconducting sample exhibiting the PME. We found that the Nb disks still exhibit the PME after more than 20 years, and we present the efforts of magnetic imaging techniques (scanning SQUID microscopy, magneto-optics, diamond nitrogen-vacancy (NV)-center magnetometry, and low-energy muon spin spectroscopy, (LE-μSR)). Various attempts to explain PME behavior are discussed in detail. Especially, magnetic measurements of mesoscopic Al disks brought out important details employing the models of a giant vortex state and flux compression. Thus, we consider these approaches and demagnetization effects as the base to understand the formation of the paramagnetic signals. New directions for further experimental and theoretical analysis are also outlined.

We show that the implementation of the 1/c² transverse current-current interaction between elec- trons into the standard self-consistent electron BCS model in bulk under thermal equilibrium in the stable superconductive phase ensures the full compensation of a constant external magnetic field by the internal magnetic field created by the electrons.

Considering the significant interest in the synthesis and various properties of the polymorphs of tin dioxide (SnO2), they are still comparatively rare in modern photovoltaic techniques. The hybrid organic-inorganic lead perovskites have triggered a revolution among solar cell researchers due to their low cost and ultrahigh power conversion efficiency. In this research, the optical properties of seven stable polymorphs (Balakrishnan Kanimozhi et al. ACS omega 7, 12 (2022): 10382-10393) of SnO2 have been investigated using first-principles approaches. The effective mass of stable SnO2 polymorphs has been computed and it is found to vary depending on the specific polymorph and the direction in which it is measured. Moreover, the spectroscopic limited maximum efficiency (SLME) of SnO2 polymorphs was also computed and compared to that of other efficient perovskite solar cells. Both Pnnm and Pbca have equivalent efficiency in comparison to the rutile polymorph. Three of the seven stable polymorphs are effective in solar cell applications. This study is the very first attempt to examine the atomic structure and electronic properties of various SnO2 polymorphs using X-ray absorption near-edge spectroscopy (XANES) at both the Sn-K-edge and O-K-edge wavelengths. Our findings, as mentioned in this paper, may be an important advancement in the understanding of these materials, thereby facilitating the development of more efficient photovoltaic devices.

The density functional theory was used to explore the structural, electronic, dynamical, and thermoelectric properties of a VIrSi Half-Heulser (HH) alloy. The minimum lattice constant of 5.69 ( ̊A) was obtained for VIrSi alloy. Besides, the band structure and the projected density of states for this HH alloy were calculated, and the gap between the valence and conduction bands was noted to be 0.2 eV. Also, the quasi-harmonic approximation was used to predict the dynamical stability of the VIrSi HH alloy. At 300 K, the Seebeck Coefficient of 370 and -270 μV.K−1., respectively, was achieved for the p and n-type doping. From the power factor result, the highest peak of 18 X 1011W/cm.K2 is obtained in the n-type doping. The Figure of Merit (ZT) result revealed that VIrSi alloy possesses a high ZT at room temperature, which would make VIrSi alloy applicable for thermoelectric performance.

Intraband energy transitions of an electron in GaAs/AlGaAs hexagonal quantum well wires in the presence of external electric and magnetic fields are presented. We consider the effects of the revolve of the quantum well wires via a geometric factor that converts the quantum wires straight and symmetric with respect to the z−axis, into a curved wires that no longer has this symmetry. In addition, the influence of having a shallow donor impurity on (off) is calculated. The shape of this quantum string corresponds to the core/shell structure. The energy levels and wave functions of the electron in the heterostructure with a finite potential between the shells are calculated using the effective mass approximation and the finite element method. The calculations of the optical properties are obtained from the compact density matrix and an iterative method. The direction of the applied external fields is parallel (anti-parallel) to the z−direction. The results reveal a significant dependence of the physical properties calculated with the deformation parameter, the dimensions of the quantum well wires and the presence or not of the impurity. The electronic transitions are in a range between 4.90 meV to 41.50 meV under the effect of the electric field, this corresponds to a range of frequencies of optical responses between 1.20 to 10 THz, that is, the mid-infrared. For the magnetic field the range is between 1.24 meV to 14 meV, that is, in frequencies from 0.36 to 3.38 THz, that is, in the far-infrared.

Optical conductivity of an interacting polaron gas is calculated within an extended random phase approximation which takes into account mixing of collective excitations of the electron gas with LO phonons. This mixing is important for the optical response of strongly polar crystals where the static dielectric constant is rather high, as in the case of strontium titanate. The present calculation sheds light on unexplained features of experimentally observed optical conductivity spectra in $n$-doped SrTiO$_{3}$. These features appear to be due to dynamic screening of the electron-electron interaction by polar optical phonons and hence do not require additional mechanisms for their explanation.

For decades SrTiO3 is in the focus of research with seemingly never-ending new insights regarding its ground state properties, its application potentials, its surface and interface properties, the superconducting state, the twin boundaries and domain functionalities, etc. Here, we focus on the already well-investigated lattice dynamics of STO and show that four different temperature regimes can be identified which dominate the elastic properties, the thermal conductivity and the birefringence. These regimes are the low-temperature quantum fluctuation dominated one, followed by an intermediate regime, the region of the structural phase transition at ~105 K and its vicinity, and at high temperatures a regime characterized by precursor and saturation effects. They can all be elucidated by lattice dynamical aspects. The relevant temperature dependences of the soft modes are discussed and their relationship to lattice polarizability is emphasized.

NMR spin relaxation times have been an instrumental tool in deciphering the local en-vironment of ionic species, the various interactions they engender and the effect of these interactions on their dynamics in conducting media. Of particular importance has been their application in studying the wide range of electrolytes for energy storage, on which this chapter is based. Here we highlight some of the research carried out on electrolytes in recent years using NMR relaxometry techniques. Specifically, studies on liquid electro-lytes, such as ionic liquids and organic solvent; on semi-solid-state electrolytes, such as ionogels and polymer gels, and solid electrolytes such as glasses, glass ceramics and polymers. Although this chapter focuses on a small selection of materials, we believe they demonstrate the breadth of application and the invaluable nature of NMR relaxometry.

We report on metastable defects introduced in n-type 4H-SiC material by epithermal and fast neutron irradiation. The epithermal and fast neutron irradiation defects in 4H-SiC are much less explored compared to electron or proton irradiation induced defects. In addition to silicon vacancy (Vsi) and carbon antisite-carbon vacancy (CAV) complex, the neutron irradiation has introduced four deep level defects, all arising from the metastable defect, the M-center. The metastable deep level defects were investigated by deep level transient spectroscopy (DLTS), high-resolution Laplace DLTS (L-DLTS) and isothermal DLTS. The existence of the fourth deep level M4, recently observed in ion implanted 4H-SiC, has been additionally confirmed in neutron irradiated samples. The isothermal DLTS technique has been proven as a useful tool for studying the metastable defects.

This present work explores the performance of a thermal-magnetic engine of Otto type, considering as a working substance an effective interacting spin model corresponding to the q− state clock model. We obtain all the thermodynamic quantities for the q = 2, 4, 6, 8 cases in a small lattice size (3×3 with free boundary conditions) by using the exact partition function calculated from the energies of all the accessible microstates of the system. The extension to bigger lattices was performed using the mean-field approximation. Our results indicate that the total work extraction of the cycle is highest for the q=4 case, while the performance for the Ising model (q=2) is the lowest of all cases studied. These results are strongly linked with the phase diagram of the working substance and the location of the cycle in the different magnetic phases present, where we find that the transition from a ferromagnetic to a paramagnetic phase extracts more work than one of the Berezinskii–Kosterlitz–Thouless to paramagnetic type. Additionally, as the size of the lattice increases, the extraction work is lower than smaller lattices for all values of q presented in this study.

In the last two decades, variably doped strontium barium niobate (SBN) has attracted a lot of scientific interest mainly due to its specific non-linear optical response. Comparably, the parental compound, i.e., undoped SBN, appears to be less studied so far. Here, two different cuts of single-crystalline nominally pure strontium barium niobate in the composition Sr0.61Ba0.39Nb2O6 (SBN61) are comprehensively studied and analyzed with regard to their photoconductive responses. We present conductivity measurements under systematically varied illumination conditions along either the polar z-axis or perpendicular to it (x-cut). Apart from a pronounced photoconductivity (PC) already under daylight and a large effect upon super-bandgap illumination in general, we observe (i) distinct spectral features when sweeping the excitation wavelength over the sub-bandgap region as then discussed in the context of deep and shallow trap states, (ii) extremely slow long-term relaxation for both light-on and light-off transients in the range of hours and days, (iii) a critical dependence of the photoresponse on the pre-illumination history of the sample, and (iv) a current-voltage hysteresis depending on both the illumination and the electrical-measurement conditions in a complex manner.

One objective of this paper is to investigate bifurcation of solutions of Ornstein-Zernike equation in liquid state theory for the gas-liquid coexistence region of simple fluids. The analysis uses a discrete form of the Ornstein-Zernike equation in real space, together with a closure relation which provides nearly self consistent thermodynamic properties of fluids governed by interaction potentials like the Lennard-Jones potential. Accurate asymptotic forms of correlation functions are incorporated in the real space algorithm so as to mitigate the influence of cutoff length used in the discrete approximations. It is found that there is no spinodal on the vapor side on a sub-critical isotherm. But there are fold bifurcation points on the vapor and liquid sides together with a 'no-real-solution-region' in between. This is followed by a region of negative compressibility extending up to the spinodal on the liquid side. The emerging picture is quite similar to that in the case of the hypernetted-chain-closure. It is also found that complex solutions connect the physical solutions that exist outside the 'no-real-solution-region' as well as in region of negative compressibility. The second objective of the paper, in the light of bifurcation scenario, is to evolve an interpretation of the coupling-parameter expansion of correlation functions pertaining to the region of negative compressibility. It is shown that the expansion provides an accurate description of results of the restricted ensembles, implied in mean field theories and simulation methods. Bifurcation of singlet density to inhomogeneous distributions at a spinodal is also established using a simple equation, which uses the direct correlation function. Thus the paper reestablishes the fact that restriction to a homogeneous singlet density is the root cause of all inconsistencies found in the gas-liquid coexistence region.

The instability of traveling pulses in nonlinear diffusion problems is inspected on the example of Gunn domains in semiconductors. Mathematically the problem is reduced to the calculation of the "energy" of the ground state in Schrödinger equation with a complicated potential. A general method to obtain the bottom-part spectrum of such equations based on the approximation of the potential by square wells is proposed and applied. Possible generalization of the approach to other types of nonlinear diffusion equations is discussed.

Examining forbidden reflections provides valuable information on electronic states and the local environment of resonant atoms in crystals. Experimental studies of two forbidden reflections 002 and 100 in TeO₂ single crystals were performed at photon energies close to the L₁ tellurium absorption edge. It was found that the spectral form corresponding to these two reflections looks almost identical, which is completely unexpected for a highly anisotropic material. Theoretical consideration shows that only one component f_xy of the tensor describing dipole-dipole resonance scattering contributes to the 002 reflection, while two components f_xy and f_xz correspond to the 100 reflection. Numerical calculations show that the latter tensor component is comparable to the first one, but the combination of several geometric factors leads to the fact that its contribution to the spectrum is negligible. This explains the experimentally observed results. The finding shows a way for targeted investigation of single tensor components and makes it possible to compare different spectra and use them the study the physical phenomena in functional materials.

Effective control of domain walls or magnetic textures in antiferromagnets promises to enable robust, fast, and non-volatile memories. The lack of net magnetic moment in antiferromagnets implies the need for creative ways to achieve such a manipulation. Here, we investigate changes in magnetic force microscopy (MFM) imaging and in magnon-related mode in Raman spectroscopy of virgin NiO films under a microwave pump. After the MFM and Raman studies, a combined action of broadband microwave (0.01-20 GHz, power scanned from −20 to 5 dBm) and magnetic field (up to 3 kOe) were applied to virgin epitaxial (111) NiO and (100) NiO films grown on (0001) Al2O3 and (100) MgO substrates, following which the MFM and Raman studies were repeated. We observed a suppression of the magnon-related Raman mode subsequent to the microwave exposure. Based on MFM imaging, this effect appears to be caused by the suppression of large antiferromagnetic domain walls due to the possible excitation of antiferromagnetic spin oscillations localized within the antiferromagnetic domain walls.

This work describes a resonance Raman study performed in domes of monolayer MoS2 using 23 different laser excitation energies covering the visible and near-infrared (NIR) ranges. The multiple-excitation results allowed us to investigate the exciton-phonon interactions of different phonons (A1’, E’ and LA) with different electronic and excitonic optical transitions in biaxially strained monolayer MoS2. The analysis of the intensities of the two first-order peaks, A1’ and E’, and the double-resonance 2LA Raman band as a function of the laser excitation furnished the values of the energies of the indirect gap and the excitonic transitions in the strained MoS2 domes. It was noticed that the out-of-plane A1’ phonon mode is significantly enhanced only by the indirect gap I and the C exciton, whereas the in-plane E’ mode is only enhanced by the C exciton of MoS2 dome, revealing thus a weak interaction of these phonons with the A and B excitons in the strained MoS2 domes. On the other hand, the 2LA Raman band is significantly enhanced at the indirect gap I transition and by the A (or B) exciton, but not enhanced by the C exciton, showing thus that the LA edge-phonons that participate in the double resonance process in MoS2 have a weak interaction with the C exciton.

Temperature dependent entropic force acting between the straight direct current I and the linear system (string with length of L) of N elementary non-interacting magnets/spins μ is reported. The system of elementary magnets is supposed to be in the thermal equilibrium with the infinite thermal bath T. The entropic force at large distance from the current is given by Fmagnen=Nμ02μ2I24π2kBTr3 , where r is the distance between the edge of the string and the current I, and kB is the Boltzmann constant; (r≫L is adopted). The entropic magnetic force is the repulsion force. The entropic magnetic force scales as Fmagnen~1T , which is unusual for entropic forces. The effect of “entropic pressure” is predicted for the situation when the source of the magnetic field is embedded into the continuous media, comprising elementary magnets/spins.

PTB7-Th is an important donor copolymer used in construction of many organic devices and other industrial applications. In this work, we investigate the structure and energetics of PTB7-Th. We employ density functional theory (DFT) (B3LYP), dispersion corrected DFT (B3LYP-D3) and long-range corrected DFT (CAM-B3LYP, LC-BLYP, and ωB97xD) to analyze the conformational structures and their corresponding energies to determine the lowest energy state of PTB7-Th. The role of the alkane side chains is carefully investigated. Our findings indicate that, when branched ethylhexyl side chains are present, the lowest energy structure of PTB7-Th has fluorine in the same plane and the same side as the double bonded oxygen in the TT-CF part of the monomer and S-C-C-S dihedral angles along the chain backbone are cis-like having values in the range of 20-30 degrees in most cases. Without these side chains the polymer, not unexpectedly, has many near conformational degeneracies.

Polarons, quasiparticles resulting from the interaction between an impurity and the collective excitations of a medium, play a fundamental role in physics, mainly because they represent an essential building block for understanding more complex many-body phenomena. In this manuscript, we study the spectral properties of a single impurity mixed with identical bosons in a one-dimensional lattice with power-law hopping. In particular, based on the so-called T-matrix approximation, we show the existence of well-defined quasiparticle branches for several tunneling ranges and for both, repulsive and attractive impurity-boson interactions. Furthermore, we demonstrate the persistence of the attractive polaron branch when the impurity-boson bound state is absorbed into the two-body continuum and that the attractive polaron becomes more robust as the range of the hopping increases. The results discussed here are of relevance for the understanding of the equilibrium properties of quantum systems with power-law interactions.

The study of the human psyche has elucidated a bipartite structure of logic reflecting the quantum--classical nature of the world. Accordingly, we posited an approach toward studying the brain by means of the quantum--classical dynamics of a mixed Weyl symbol. The mixed Weyl symbol can be used to describe brain processes at the microscopic level and, when averaged over an appropriate ensemble, can provide a link to the results of measurements made at the meso and macro scale. Within this approach, quantum variables (such as, for example, nuclear and electron spins, dipole momenta of particles or molecules, tunneling degrees of freedom, and so on) can be represented by spinors, whereas the electromagnetic fields and phonon modes can be treated either classically or semi-classically in phase space by also considering quantum zero-point fluctuations. Quantum zero-point effects can be incorporated into numerical simulations by controlling the temperature of each field mode via coupling to a dedicated Nos\'e-Hoover chain thermostat. The temperature of each thermostat was chosen in order to reproduce quantum statistics in the canonical ensemble. In this first paper, we introduce a general quantum--classical Hamiltonian model that can be tailored to study physical processes at the interface between the quantum and the classical world in the brain. While the approach is discussed in detail, numerical calculations are not reported in the present paper, but they are planned for future work. Our theory of brain dynamics subsumes some compatible aspects of three well-known quantum approaches to brain dynamics, namely the electromagnetic field theory approach, the orchestrated objective reduction theory, and the dissipative quantum model of the brain. All three models are reviewed.

Low temperature dielectric property of charge/orbital ordered manganite, Pr1-xCaxMnO3 for 0.40≤x≤0.50 is investigated systematically as a function of Ca-content, x. The Ca-content dependence of dielectric permittivity and dissipation factor exhibit distinct maxima around x=0.45. The overall dielectric response of charge ordered Pr1-xCaxMnO3 is dominated by polarization induced by polaron hopping and exhibits thermally activated relaxation behaviour. The dielectric relaxation behaviour over the investigated temperature range is analysed with the help of small polaron hopping model and as well as variable range hopping model. The estimated polaron parameters also display non-monotonic variation with x and exhibit broad minima between x=0.425-0.45. The observed results suggest that a modulation of checker board type charge ordering pattern in Pr1-xCaxMnO3 is possibly taking place in the Ca-content range of investigation 0.40≤x≤0.50.

The ordered Ca3TaGa3Si2O14 and disordered La3Ga5SiO14 crystals of the lantangallium silicate family were grown by the Czochralski method. The independent coefficients of thermal expansion of crystals αc and αa were determined by X-ray powder diffraction based on the analysis of X-ray diffraction spectra measured in the temperature range of 25÷1000°C. It is shown that in the temperature range of 25÷800°C the thermal expansion coefficients are linear. At temperatures above 800°C there is a nonlinear character of the thermal expansion coefficients associated with a decrease in the Ga content in the crystal lattice of the lantangallium silicate family crystals.

In this study, we investigated, for the first time, the effects of the spatially varying effective mass, asymmetry parameter, and well width on the electronic and optical properties of the quantum well which has an improved Rosen-Morse potential. Calculations are made within the framework of the effective mass and parabolic band approximations. We have used the diagonalization method by choosing a wave function based on the trigonometric orthonormal functions to find eigenvalues and eigenfunctions of the electron confined within the improved Rosen-Morse potential. Our results show that the position-dependence mass, asymmetry, and confinement parameters cause significant changes in the electronic and optical properties of the structure we focus on since these effects create a significant increase in electron energies and a blue shift in the absorption spectrum. The increase in energy levels enables the development of optoelectronic devices that can operate at wider wavelengths and absorb higher energy photons. This offers potential advancements in fields such as optical communication, imaging technology, and solar cells.

In recent years, two-dimensional (2D) materials have attracted significant attention due to their distinctive properties, including exceptional mechanical flexibility and tunable electronic properties. Via the first-principles calculation, we investigate the effect of strain on the electronic properties of monolayer SnP2S6 and GeP2S6. We find that monolayer SnP2S6 is an indirect band gap semiconductor, while monolayer GeP2S6 is a direct band gap semiconductor. Notably, under uniform biaxial strains, SnP2S6 undergoes an indirect-to-direct band gap transition at 4.0% biaxial compressive strains, while GeP2S6 exhibits a direct-to-indirect transition at 2.0% biaxial tensile strain. The changes of the conduction band edge can be attributed to the high-symmetry point Γ being more sensitive to strain than K. Thus, the relocation of the conduction-band and valence-band edges in monolayer SnP2S6 and GeP2S6 induces a direct-to-indirect and indirect-to-direct band-gap transition respectively. Consequently, the strain is an effective band engineering scheme which is crucial for the design and development of next-generation nanoelectronic and optoelectronic devices.

The circular photogalvanic effect (CPGE) is the photocurrent generated in an optically active material in response to an applied ac electric field, and it changes sign depending on the chirality of the incident circularly polarized light. It is a non-linear dc current as it is second-order in the applied electric field, and for a certain range of low frequencies, takes on a quantized value proportional to the topological charge for a system which is a source of nonzero Berry flux. We show that for a non-interacting double-Weyl node, the CPGE is proportional to two quanta of Berry flux. On examining the effect of short-ranged Hubbard interactions upto first-order corrections, we find that this quantization is destroyed. This implies that unlike the quantum Hall effect in gapped phases or the chiral anomaly in field theories, the quantization of the CPGE in topological semimetals is not protected.

The energies of spin singlet and triplet bound electron pairs are reckoned for electrons interacting through the Coulomb interaction, while sitting on neigbouring lattice sites. It is concluded that triplet pairs are unlikely to be observed due to screening. The interplay of inter-electron couplings of different spatial range is investigated. High-pressure induced superconductivity is analysed and qualitative agreement is achieved with observed results by working out the dependence of the critical temperature on the microscopic parameters, characterising the electron motion. This approach can be applied to other kinds of inter-electron interactions.

Enhancement in chemisorption is one of the active research areas in carbon materials. To remedy the thermally degraded chemisorption at high temperatures, we report a comprehensive study of kink structures in free-standing monoatomic carbon nanowires upon heating. Our Monte Carlo simulation considers multi-monoatomic carbon chains laterally interacted by the Van der Waals force. Our study reveals that the carbon nanowires maintain their linearity regardless of chain length at low temperatures, but this is not the case at high temperatures. Disordered kink structure is observed in the short carbon chains, especially above the Peierls transition temperature. The severe kink structure might increase the possibility of attaching negatively charged atoms, thereby contributing to the development of next-generation materials for chemisorption at high temperatures. We have also provided an important inspection that any physical property of the finite-length carbon chain predicted by ab-initio calculation should reconsider the atomic rearrangement due to the thermal instability at high temperatures.

We derive the thermal noise spectrum of the Fourier transform of the electric field operator of a given wave vector starting from the quantum-statistical definitions and relate it to the complex frequency and wave vector dependent complex conductivity in a homogeneous, isotropic system of electromagnetic interacting electrons. We analyze separately the longitudinal and transverse case with their peculiarities. The Nyquist formula for vanishing frequency and wave vector, as well as its modification for non-vanishing frequencies and wave vectors follow immediately. Furthermore we discuss also the noise of the photon occupation numbers. It is important to stress that no additional assumptions at all were used in this straightforward proof.

We consider new insights into the origin and nature of pointer states and their role in wave function collapse in macroscopic quantum coherence. The work includes new theory of quantum coherence underpinned by turbulence, generated by a field of pointer states in the form of recirculating vortices (toroids), interconnected via a vortex cascade. Decoherence occurs when the interconnected field of vortices between pointer states is disrupted by external forces, leading to their localisation. The applicability of this work is considered in addressing unresolved questions in high temperature superconductivity and macroscopic quantum processes in biological systems. We also consider its implications for our understanding of intrinsic spin and pointer states within the standard "point source" representation of a quantum particle, which intuitively requires a more complexed description.

We calculate the sound velocity and the damping rate of the collective excitations of a 2D fermionic superfluid in a non-perturbative manner. Specifically, we focus on the Anderson-Bogoliubov excitations in the BEC-BCS crossover regime, as these modes have a soundlike dispersion at low momenta. The calculation is performed within the path integral formalism and the Gaussian pair fluctuation approximation. From the action functional, we obtain the propagator of the collective excitations and determine their dispersion relation by locating the poles of this propagator. We find that there is only one kind of collective excitation, which is stable at $T=0$ and has a sound velocity of $v_{F}/\sqrt{2}$ for all binding energies, i.e. throughout the BEC-BCS crossover. As the temperature is raised, the sound velocity decreases and the damping rate shows a non-monotonous behavior: after an initial increase, close to the critical temperature $T_{C}$ the damping rate decreases again. In general, higher binding energies provide higher damping rates. Finally, we calculate the response functions and propose that they can be used as another way to determine the sound velocity.

Using valid experimental parameters we quantify the magnitude of resonantly phonon-driven precession of exchange magnons in freestanding ferromagnetic nickel thin films on their thickness L. Analytical solutions of acoustically driven equations for magnon oscillators display a nonmonotonous dependence of the peak magnetization precession on the film thickness. It is explained by different L-dependence of multiple prefactors entering in the expression for the total magnetization dynamics. Depending on the ratio of acoustic and magnetic (Gilbert) damping constants, the magnetization precession is shown to be amplified by a Q-factor of either the phonon or the magnon resonance. The increase of the phonon mode amplitude for thinner membranes is also found to be significant. Focusing on the magnetization dynamics excited by the two first acoustic eigenmodes with p=1 and p=2 we predict the optimum thicknesses of nickel membranes to achieve large amplitude magnetization precession at multi 100 GHz frequencies at reasonably low values of an external magnetic field.

We calculate the parameters of the Ginzburg–Landau (GL) equation of a three-dimensional attractive Fermi gas around the superfluid critical temperature. We compare different levels of approximation throughout the Bardeen–Cooper–Schrieffer (BCS) to the Bose–Einstein Condensate (BEC) regime. We show that the inclusion of Gaussian fluctuations strongly modifies the values of the Ginzburg–Landau parameters approaching the BEC regime of the crossover. We investigate the reliability of the Ginzburg–Landau theory, with fluctuations, studying the behavior of the coherence length and of the critical rotational frequencies throughout the BCS-BEC crossover. The effect of the Gaussian fluctuations gives qualitative correct trends of the considered physical quantities from the BCS regime up to the unitary limit of the BCS-BEC crossover. Approaching the BEC regime, the Ginzburg–Landau equation with the inclusion of Gaussian fluctuations turns out to be unreliable.