Systematic results of lattice dynamical calculation are reported for the novel (SiC)m/(GeC)n superlattices (SLs) by exploiting a modified-linear chain model (M-LCM) and a realistic rigid-ion- model (RIM). By employing the bond polarizability method in the framework of M-LCM, we have simulated Raman intensities for the graded (SiC)10-D/(Si0.5Ge0.5C)D/(GeC)10-D/(Si0.5Ge0.5C)D SLs by carefully integrating interfacial layer thickness D (≡ 0, 1, 2, 3 monolayers (MLs)). The variation of D has initiated considerable up (down) shifts of GeC-, (SiC)-like Raman peaks in the middle of the optical phonon frequency region. With D = 3 MLs, the maximum energy shift (by ~ 47 cm-1) of SiC-like modes has caused substantial changes in the Raman intensity profiles linked to the localization of atomic displacements at the interfacial transition regions. This effect can be considered as a vital tool for authenticating the interfacial structures in technologically important SLs. By using a RIM, we have reported SL phonon dispersions along the growth [001] as well as in the plane [100], [110] perpendicular to the growth. Our simulations of phonons in the acoustic mode region have not only confirmed the formation of minigaps at the zone center and zone edges but also provided evidence of anti-crossing and phonon confinement. Besides examining angular dependence of zone-center optical modes, we have also discussed phonon folding, confinement and anisotropic behavior in (SiC)m/(GeC)n SLs.

The interest on amorphous carbon thin films with low secondary electron yield (SEY) has been increasing in the last years, to mitigate electron multipacting in particle accelerators and in RF devices. Previous works found that the SEY increases with the hydrogen amount and correlates with the Tauc gap. In this work, we analyse films produced by magnetron sputtering with different contents of hydrogen and deuterium, incorporated via target poisoning and sputtering of CxDy molecules. XPS was implemented to estimate the phase composition of the films. The maximal SEY was found to decrease linearly with the fraction of the graphitic phase in the films. These results are supported by Raman scattering and UPS. The graphitic phase decreases almost linearly for hydrogen and deuterium concentrations between 12% and 46% (at.), but abruptly decreases when the concentration reaches 53%. This vanishing of the graphitic phase is accompanied by a strong increase of SEY and of the Tauc gap. These results suggest that the SEY is not dictated directly by the concentration of H/D but by the fraction of graphitic phase. The results are supported by a model used to calculate SEY of films consisting of a mixture of graphitic and polymeric phases.

The details of ac-conductivity measurements in a colloidal electrolyte cell with flat control gate electrodes are discussed. The use of impedance diagnostics in studies of transport phenomena in such systems requires caution in the definition of the thickness of the screening accumulation layers that appear along the metal-electrolyte interfaces. The value of this characteristic length λ0 critically depends on the volume fraction ϕ⊙ of colloidal particles in the bulk of electrolyte. Accounting for the dependence λ0(ϕ⊙) makes it possible to consistently explain the large discrepancy in the available experimental data regarding the influence of colloidal fraction on the effective conductivity of the colloidal suspension.

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.

Co-Zr amorphous alloys exhibit soft magnetic properties, whereas Co-rich crystalline magnetic phases in this alloy system display hard magnetic behaviour. In this study, an initial two-phase Co-Zr composite with an overall composition of 75 at.% Co and 25 at.% Zr was processed by high pressure torsion (HPT) and the effects of severe plastic deformation and subsequent thermal treatment on the structural evolution and its magnetic properties have been investigated. HPT processing allowed us to achieve an amorphous microstructure in the as-deformed state with low coercivity. To further tune magnetic properties and study the alloys’ crystallization behaviour, various annealed states are investigated. Microstructural properties are correlated to the magnetic properties and a decreasing coercivity with increasing annealing temperature is observed despite the onset of crystallization in the amorphous alloy. At higher annealing temperatures, coercivity increases again. The results appear promising to obtain tuneable rare-earth free magnetic materials by severe plastic deformation.

To investigate proposed ferromagnetic fluctuations in the single-layer Bi-2201 and La-214 high-Tc cuprates, we performed magnetization and electrical-resistivity measurements using single-layer Tl-2201 cuprates Tl2Ba2CuO6+d as well as La-214 La2-xSrxCuO4 in the heavily overdoped regime. Magnetization of Tl-2201 exhibited the tendency to be saturated in high magnetic fields at low temperatures, suggesting the precursor behavior toward the formation of a ferromagnetic order. It was found that the power of temperature n obtained from the temperature dependence of the electrical resistivity is ~ 4/3 and ~5/3 for Bi-2201 and La-214, respectively, and is ~ 4/3 at high temperatures and ~5/3 at low temperatures in Tl-2201. These results suggest that two-dimensional ferromagnetic fluctuations exist in Tl-2201 at high temperatures and Bi-2201 and that three-dimensional ferromagnetic fluctuations exist in Tl-2201 at low temperatures and La-214. The dimensionality of ferromagnetic fluctuations is understood in terms of the dimensionality of the crystal structure and the bonding of atoms in the blocking layer.

Rare-earth tetraborides RB4 are of great interest due to the occurrence of geometric magnetic frustration and corresponding unusual magnetic properties. While the Gd3+ spins in GdB4 align along the ab plane, Er3+ spins in the isomorphic ErB4 are confined to the c–axis. The magnetization in the latter exhibits a plateau at the midpoint of the saturation magnetization. Therefore, solid solutions of (Gd, Er)B4 provide an excellent playground for exploring the intricate magnetic behavior in these compounds. Single crystals of Gd(1-x)Erx B4 (x = 0, 0.2, and 0.4) were grown in aluminum flux. X-ray diffraction scans revealed single phase materials, and a drop in the unit cell volume with increasing Er content, suggesting the partial substitution of Er at the Gd sites. Heat capacity measurements indicated a systematic decrease of the Néel temperature (TN) with increasing Er content. The effective magnetic moment determined from the magnetization measurement agreed with the calculated free-ion values for Gd3+ and Er3+, providing further evidence for the successful substitution of Er for Gd. The partial substitution resulted in an anomalous ferromagnetic phase below TN, exhibiting significant anisotropy, predominantly along the c-axis. This intriguing behavior merits further studies of the magnetism in the Gd(1-x)ErxB4 borides.

We present here a theory of Majorana excitons, photo-excited conduction electron-valence band hole pairs, interacting with Majorana Fermions in a Kitaev chain of semiconductor quantum dots embedded in a nanowire. Using analytical tools and exact diagonalisation methods we identify the presence of Majorana Zero Modes in the nanowire absorption spectra.

The main purpose of the work was to determine the powder composition and properties of iron-based sinters used as a matrix in metallic diamond tools. The FeCuSnNi sinters obtained from a mixture of commercial powders were used for research. The material was subjected to milling in a ball mill and sinter have been performed with the hot-pressing technique in a graphite mold. The physical and mechanical properties of the sinters were tested. The investigations of obtained sinters concerned density, porosity, hardness, oxygen content, static tensile test and analysis of microstructure. The static tensile test was carried out with the use of a universal testing machine UTS-100. The study of the microstructure of sinters was performed using the JSM-7100F scanning electron microscope. The sinters are characterized by a high coefficient of thermal expansion and good mechanical properties. The FeCuSnNi sinter revealed a complex phase structure. Spot chemical analysis revealed the presence of Fe solution, Cu solution and the presence of iron oxides oxides. Nickel atoms were present throughout the sinter volume. The obtained results indicate that the presented material can be used as a matrix of a diamond-metal composite in diamond tools for the processing of natural stones and building materials.

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.

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%.

Zero-dimensional (0D) tin halide perovskites feature extraordinary properties, such as broadband emission, high photoluminescence quantum yield, and self-absorption-free characteristics. The innovation of synthesis approaches for high-quality 0D tin halide perovskites has facilitated the flourishing development of perovskite-based optoelectronic devices in recent years. However, discovering an effective strategy to further enhance their emission efficiency remains a considerable challenge. Herein, we report a unique strategy employing rapid heat treatment to attain efficient self-trapped exciton (STE) emission in Cs4SnBr6 zero-dimensional perovskite. Compared to the pristine Cs4SnBr6, rapid thermal treatment (RTT) at 200°C for a duration of 120 seconds results in an augmented STE emission with photoluminescence (PL) quantum yield rising from an initial 50.1% to a substantial 64.7%. Temperature-dependent PL spectra analysis, Raman spectra, and PL decay traces reveal that the PL improvement is attributed to the appropriate electron-phonon coupling as well as the increased binding energies of STEs induced by the RTT. Our findings open up a new avenue for efficient luminescent 0D tin-halide perovskites toward the development of efficient optoelectronic devices based on 0D perovskites.

Semiconductor nanowhiskers, in particular, nanostructured whiskers based on zero-dimensional (0D) C70 fullerene, are being actively discussed due to the great potential of their application in modern electronics. For the first time, we proposed and implemented a method for the synthesis of nanostructured C70 fullerene whiskers based on the self-organization of C70 molecules during thermal evaporation of C70 droplets on the substrate surface. We found that the onset of the synthesis of C70 nanowhiskers upon evaporation of drops of a C70 solution in toluene on the substrate surface depends on the substrate temperature. We have provided experimental evidence that an increase in both the C70 concentration in the initial drop and the substrate temperature leads to an increase in the geometric dimensions of C70 nanowhiskers. The obtained results provide useful vision on the role of solute concentration and substrate temperature in the synthesis of one-dimensional materials.

The pinning force density FpJc,B=Jc×B (where Jc is the critical current density and B is the applied magnetic field) is one of the main parameters that characterize the resilience of a superconductor to carry a dissipative-free transport current in an applied magnetic field. Kramer (1973 J. Appl. Phys. 44 1360), and Dew-Hughes (1974 Phil. Mag. 30 293) proposed a widely used scaling law for the pinning force density amplitude: FpB=Fp,max×p+qp+qppqq×BBc2p×1-BBc2q, where Fp,max, Bc2, p, and q are free-fitting parameters. Since the late 1970-s till now, several research groups have reported experimental data on the dependence of Fp,max on the average grain size, d, in Nb3Sn-based conductors. Godeke (2006 Supercond. Sci. Techn. 19 R68) proposed that the dependence obeys the law Fp,maxd=A×ln1d+B. However, this scaling law has several problems, for instance, the logarithm is taken from a non-dimensionless variable, and Fp,maxd<0 for large grain sizes, and Fp,maxd→∞ for d→0. Here, we reanalysed the full inventory of publicly available Fp,maxd data for Nb3Sn conductors and found that the dependence can be described by Fp,maxd=Fp,max0×exp-dδ law, where the characteristic length, δ, varies within a remarkably narrow range, that is, δ=175±13 nm, for samples fabricated by different technologies. The interpretation of the result is based on the idea that the in-field supercurrent flows within a thin surface layer (thickness of δ) near the grain boundary surfaces (similar to London’s law, where the self-field supercurrent flows within a thin surface layer with a thickness of the London penetration depth, λ, and the surface is a superconductor-vacuum surface). An alternative interpretation is that δ represents the characteristic length of the exponential decay flux pinning potential from the dominant defects in Nb3Sn superconductors, which are grain boundaries.

Thin Pd-40%Cu films were obtained by the classical melting and rolling method, magnetron sputtering and modified with nanostructured functional coatings to intensify the process of hydrogen transport. The films were modified by electrodeposition according to the classical method of obtaining palladium black and "Pd-Au nanoflowers" with spherical and pentagonal particles, respectively. The experiment results demonstrated the highest catalytic activity (89.47 mA cm–2), good resistance to CO poisoning and long-term stability of Pd-40%Cu films with a pentagonal structured coating. The investigation of the developed membranes in the hydrogen transport processes in the temperature range of 25-300°C also demonstrated high and stable fluxes up to 475.28 mmol s–1 m–2 (deposited membranes) and 59.41 mmol s–1 m–2 (dense-metal membranes), which turned out to be up to 1.5 higher compared to membrane materials with classic niello. For all-metal modified membranes, the increase in flux was up to 7 times, compared with a smooth membrane made of pure palladium, and for deposited films, this difference was several tens of times. The membrane materials selectivity was also high up to 4419. The developed strategy for modifying membrane materials with functional coatings of a fundamentally new complex geometry can shed new light on the development and fabrication of durable and highly selective palladium-based membranes for gas steam reformers.

This paper presents the results of the study of carbon films deposited on substrates of quartz, mica and silicon by the method of electron paramagnetic resonance (EPR). This study has identified the dependences of the intensities of the EPR signal, the g- factor, and the line width on the temperature of carbon films on various substrates with perpendicular and parallel arrangement of the sample plane relative to the orientation of the magnetic field are presented. The results of this study show that the dependence of the line width on temperature measurements does not change under both conditions for recording the EPR spectra. The research has also shown that with increasing temperature, the normalized intensity of the EPR signal line increases when carbon is deposited on various substrates (quartz, mica, and silicon) by the method of plasma decomposition of a mixture of CH4 and H2.

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 the article, we are trying to find a general law that describes the physical properties of a complex compound through the same physical properties of compound elements. For metal alloys operated under extreme conditions - neutron and proton irradiations and thermal heating, the mechanical properties of these alloys and their elements have been studied. It turned out that the ultimate tensile strength of tantalum alloys used in the design of space reactors can be expressed in terms of the weighted sum of the ultimate tensile strengths of its elements in the range of neutron doses: (0 - 0.96) displacement per atom (dpa) for Ta–10W alloy and (1.4 - 1.7) dpa for T–111 alloy with a neutron energy of more than 0.1 MeV. For tungsten binary alloys used in the design of fusion reactors, the Vickers hardness can also be expressed in terms of the weighted sum of the Vickers hardnesses of the alloy elements in the range of proton irradiation doses: (0 - 0.05) dpa for W-1%Re alloy, (0.05 - 0.2) dpa for W-3%Re alloy and (0.05 - 1) dpa for W-1%Ta with a proton energy of 1 MeV.

This paper presents results of the magnetic dynamics study (the microwave power absorptions at the fixed frequencies, during magnetic field sweeping) in samples of Y3Fe5O12 single crystals in the form of plates and spheres of various sizes, at frequencies exceeding 30 GHz, in magnetic fields up to 18 kOe, at room temperature and T=77 K. It was found, that in this case, the inhomogeneity’s of the magnetic state manifested itself in the Y3Fe5O12 samples in as 2D local phase separation regions. These 2D phase separation regions formed inside domain walls representing superlattices with size’s 700 – 900 Å. Landau diamagnetism or de Haas van Alphen oscillations observed in the 2D phase separation regions at room temperature and T=77 K, depending on the shape and size of the studied plates and spheres.

We propose a method of cooling nuclear spin systems of solid-state nanostructures by application of a time-dependent magnetic field synchronized with spin fluctuations. Optical spin noise spectroscopy is considered as the method of fluctuation control. Depending on the mutual orientation of the oscillating magnetic field and the probe light beam, cooling might be either provided by dynamic spin polarization in an external static field or result from population transfer between spin levels without build-up of a net magnetic moment (“true cooling”).

The structural stability of γ-boron is investigated using Raman spectra under high pressures up to 126 GPa at ambient temperature. The pressure dependence of all the Raman-active modes of the γ-boron is reported. We also observe amusing changes within the B3g and B1g Raman-active vibrational modes, which results in the phenomenon of merging first and then separating of the Raman peaks. In addition to the Raman measurements, the changes in crystal structure and force constants are calculated to reasonably explain the discrepancy between the two Raman modes in response to pressure. The results of the continuous shifts for all Raman modes with increasing pressure indicate that γ-boron remains stable below this pressure value, with no changes in either symmetry or structure.

In this work we report recent theoretical calculations of a superconducting island in a strong vortex confinement regime. The obtained results reveal the evolution of superconducting condensate as a function of electron mean-free path (l) with the evolution of an applied magnetic field H0. The results of this study provide an insight about the emergent superconducting properties under such conditions, using the Ginzburg-Landau numerical simulations where spatial variation of thickness d on island, omnipresent in these kind of structures grown on Si (111), is taken into account. These results offer a new route to tailor superconducting circuits by using the controlled bombardment, in order to explore the impact on vortex distribution, phase of order parameter, number of vortices, free energy and the first H1 and second critical field H2.

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.

Here we present calculation of the critical current of DC SQUID based on the Josephson junction on multi-band superconductor with frustration effect. It is shown that the changing of the critical current of DC SQUID with small geometrical inductance is determined by the ratio of supercurrent amplitude in different channels and the external magnetic field. In the a case of DC SQUID with high inductance frustration effects can be ignored.

Hydrotalcites (HTlc) represents a class of nanostructured layered materials that may be employed in a variety of applications, from green to bio technologies. In this paper, we report an investigation on HTlc made of Mg and Fe, recently employed to improve the growth in vitro of osteoblasts within a keratin sponge. We have carried out an analysis of powder materials and of HTlc dispersed in keratin and spin-coated on a Si/SiO2 substrate at different temperatures. A DC magnetic study of the powders has been carried out with a Quantum Design Physical Property Measurement System, equipped with a Vibrating Sample Magnetometer. The data gathered prove that these HTlc are fully paramagnetic, and keratin shows a very small magnetic response. Optical and Atomic Force Microscopy analyses of the thin films provide a detailed picture of clusters randomly dispersed in the films with various dimensions. The magnetic properties of these films have been characterized using the Nano Magneto Optical Kerr Effect (NanoMOKE) down to 7.5K. The data collected show that the local magnetic properties can be mapped with a micrometric resolution distinguishing HTlc regions from keratin ones. This approach opens new perspectives in the characterization of these composite materials.

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.

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.

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.

A structural study of the 6√3 reconstruction conversion on 4H-SiC substrate surface in an Ar medium with a short sublimation annealing time into quasi-free epitaxial graphene by means of hydrogen intercalation between the upper layer of SiC and the adjacent reconstructed layer was carried out using the technique of reflection high-energy electron diffraction (RHEED) characterizing the surface of a crystalline material. A slight violation of the 6√3 reconstruction layer formation uniformity was found. The results of the study of the crystal structure of quasi-free graphene and single-layer graphene comprising a buffer layer formed on 4H-SiC in the traditional way in an Ar atmosphere without intercalation were compared.

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.

The use of carbon nanotubes to improve the mechanical properties of polymers is one of the promising directions in materials science. The addition of single-walled carbon nanotubes (SWCNT) to a polymer results in significant improvement of mechanical, electrical, optical, and structural properties. However, the addition of SWCNTs does not always improve the polymer properties. Also, when a certain content of SWCNTs is exceeded, the mechanical properties of the nanocomposite are getting worse. This article reports the results of computer simulations for predicting the mechanical properties of polymer/single-walled carbon nanotube nanocomposites. The efficiency of reinforcing polymer composites is considered depending on the concentration of carbon nanotubes in the polymer matrix, their size and structure. The elastic moduli of the nanocomposites were predicted using computer simulations for unit cell tension (0.1%). General trends in the mechanical properties of composites with polypropylene, poly (ethyl methacrylate), polystyrene matrices and SWCNTs are shown.

Spectroscopic methods are used to study the processes of accumulation of electron and hole trapping centers and energy transfer of electronic excitations to impurities in CaSO4-Mn and BaSO4-Mn. It is shown that the transfer of energy from the host to impurities occurs at the moment of charge transfer from the excited anionic complex SO_4^(2-) to the hybrid radiative electronic states at 2.95–3.1 eV formed from the electronic states of the Mn^(+)-SO_4^(-) and SO_4^(3-)-SO_4^(-) trapping centers. It was found that, in sulfates, under irradiation, as a result of charge transfer from excited anionic complexes of the host to the excited states of impurities Tl^(+),Cu^(+),Mn^(2+), hybrid radiative states emerge at 2.95–3.15 eV, occupying the same energy levels as the intrinsic electronic trapping center SO_4^(3-) of the host at 2.95–3.1 eV.

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.

Co-doped SnO2 nanocrystals with tetragonal rutile-type (space group P42/mnm) structure have been investigated using in-situ high-pressure synchrotron angle dis-persive X-ray diffraction till 20.9 GPa at ambient temperature. The analysis of ex-perimental results based on Rietveld refinements suggest that rutile-type SnO2 un-dergoes a structural phase transition at 14.2 GPa to an orthorhombic CaCl2-type phase (space group Pnnm) with no coexistence during the phase transition. No further phase transition is observed till 20.9 GPa. The low-pressure and high-pressure phases are related via a group/subgroup relationship. However, as a discontinuous change in the unit-cell volume is detected at the phase transition, thus, the phase transition can be classified as first-order type. On decompression the transition is found to be re-versible. The results are compared with previous high-pressure studies on SnO2.

Nickelate superconductors, R1-xAxNiO2 (where R is a rare earth metal and A = Sr, Ca), experimentally discovered in 2019 exhibit many unexplained mysteries as the existence of a superconducting state with Tc (up to 18 K) in thin films and its absence in bulk materials. Another unexplained mystery of nickelates is their temperature-dependent upper critical field, Bc2T, which can be nicely fitted to two-dimensional (2D) models; however the deduced film thickness, dsc,GL, exceeds the physical film thickness, dsc, by a manifold. To address the latter, it should be noted that 2D models assume that dsc is less than the in-plane and out-of-plane ground state coherence lengths, dsc<ξab0 and dsc<ξc0, respectively, and, in addition, that the inequality ξc0<ξab0 satisfies. Analysis of the reported experimental Bc2T data showed that at least one of these conditions does not satisfy for R1-xAxNiO2 films. This implies that nickelate films are not 2D superconductors, even despite though that the superconducting state is observed only in thin films. Based on this, here we proposed analytical three dimensional (3D) model for global data fit of in-plane and out-of-plane Bc2T in nickelates. The model is based on a heuristic expression for temperature dependent coherence length anisotropy: γξT=γξ01-1a×TTc, where a>1 is a unitless free-fitting parameter. The proposed expression for γξT, perhaps, has a much broader application because it has been successfully applied to bulk pnictide and chalcogenide superconductors.

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.

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.

We determined the optimal composition of reactive magnetron sputtered TiO2-SnO2 mixed layers for electrochromic purposes. We determined and mapped the composition and optical parameters by Spectroscopic Ellipsometry (SE). The Ti‐ and Sn‐ targets have been placed separately, and the Si-wafers on glass substrate (30 cm× 30 cm) were moved under the two separated targets (Ti and Sn) in Ar‐O2 plasma. Different (Effective Medium Approximation (EMA) and oscillator-type) op-tical models were used to obtain the composition maps and thickness of the sample layer. Scanning Electron Microscopy (SEM) with Energy-Dispersive X-ray Spectroscopy (EDS) has been used to check the SE results. The ’goodness’ of diverse optical models have been compared, according to the conditions of sample preparation. We show that in the case of molecular-level mixed layers 2‐Tauc‐Lorentz oscillator model is better than the Bruggeman Effective Medium Approximation (BEMA). The electrochromic properties of mixed metal oxides that deposited by reactive sputtering have been mapped, too.

Physics of high-Tc superconducting cuprates is obscured by the effect of strong electronic correlations. One way to overcome the problem is to seek for an exact solution at least within the small cluster and expand it to the whole crystal. Such an approach is in the heart of the cluster perturbation theory (CPT). Here we develop CPT for the dynamic charge and spin susceptibilities (spin-CPT), within which the correlation effects are explicitly taken into account by the exact diagonalization. We apply spin-CPT to the effective two-band Hubbard model for the cuprates obtained from the three-band Emery model and calculate one- and two-particle correlation functions, namely, spectral function and spin and charge susceptibilities. Doping dependence of the spin susceptibility was studied within spin-CPT and CPT-RPA that is the CPT generalization of the random phase approximation (RPA). Both methods produce the low energy response at four incommensurate wave vectors in qualitative agreement to the results of the inelastic neutron scattering on overdoped cuprates.

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.

An extensive review of literature simulations of polymer melts is given, considering results that test aspects of the Rouse model in the melt. We focus on the mean-square amplitudes < (X_p(0))^{2} > and time correlation functions < X_p(0) X_p(t) > of the Rouse modes $X_p(t)$. Contrary to the Rouse model: (i) Mean-square Rouse mode amplitudes < (X_p(0))^2> do not scale as sin^{-2}(p \pi/2N), N being the number of beads in the polymer. For small p (say, p <= 3) < (X_p(0))^2> scales with p as p^{-2}$; for larger p it scales as p^{-3}. (ii) Rouse mode time correlation functions < X_p(t) X_p(0) > do not decay with time as exponentials; they instead decay as stretched exponentials exp(-a t^b)$. b depends on p, typically with a minimum near N/2 or N/4. (iii) Polymer bead displacements are not described by independent Gaussian random processes. (iv) For p not equal to q, < X_p(t) X_{q}(0) > is sometimes non-zero. (v) The response of a polymer coil to a shear flow is a rotation, not the affine deformation predicted by Rouse. Simulations thus conclusively demonstrate that the Rouse model is invalid in polymer melts. We also briefly consider the Kirkwood-Riseman polymer model.

The article continues the search for a general law that describes the physical properties of a solid body, represented as a complex compound, through the physical properties of its elements. For a set of mixtures of metal oxides (actinide oxides), their melting or solidification temperatures were described in terms of the atomic weighted sum of the melting/solidification temperatures of these metals and molecular oxygen, multiplied by a variable which depending on the crystal structure and properties of melt of the compound and on the atomic numbers of the elements that make up the compound.

The aim of this work is a comprehensive study of the effect of variable atomic composition and structural-phase state of (CoFeZr)x(MgF2)100-x nanocomposites (NCs) on their nonlinear electronic and magnetic/magneto-optical properties. Micrometer-thick nanocomposites layers on the glass substrates were obtained by ion-beam sputtering of a composite target in the argon atmosphere in a wide range of compositions x=9-51at.% The value of the resistive percolation threshold xper=34 at.%, determined from the concentration dependences of the electrical resistance of NCs, coincides with the beginning of nucleation of metallic nanocrystals CoFeZr in MgF2 dielectric matrix. The absolute value of maximum magnetoresistance of NCs is 2.4 % in a magnetic field of 5.5 kOe at x=25 at.%, up to the percolation threshold. Two maxima appear in the concentration dependences of magneto-optical transversal Kerr effect, one of which at x = 34 at.% corresponds to the formation of CoFeZr alloy nanocrystals of a hexagonal structure, and the second one at x=45 at.% corresponds to the phase transition of nanocrystals from a hexagonal to a cubic body-centered structure. The magnetic percolation threshold in (CoFeZr)x(MgF2)100-x system at xfm=34 at.% with the appearance of a hysteresis loop and a coercive force of Hc≈ 8 Oe, coincides with the resistive percolation threshold xper=34 at.%. Concentration dependence of the coercive force showed that at low contents of metallic alloy x<30 at.% NCs are superparamagnetic (Hc=0). With an increase of the alloy content, in the region of magnetic and resistive percolation thresholds NCs exhibit a magnetically soft ferromagnetic character and do not change it far beyond the percolation threshold with the maximum value of the coercive force Hc< 30 Oe. Decrease in magnetic order and soft ferromagnetic are influenced by the diamagnetic phase FeF2 that we discovered at the interface of magnetic nanocrystals CoFeZr with a dielectric matrix MgF2 by the Mössbauer spectroscopy.

We calculate energies of shallow donors confined in a rolled-up quantum well in the presence of the electric field by solving numerically the Schrödinger equation in natural curvilinear coordinates. It is found that the curves of density of states (DOS) are very sensitive to the variation of the donor position, the geometry of the spiral and the applied electric field value. Novel results for dependencies of donor’s dipole moment and its polarizability on the electric field strength and its orientation, for different donor positions are presented. Also, we found that anisotropic Stark effect of the first order provides in this structure a dependency of the polarizability on the external electric field in a spike-like shape, giving rise to a sharp variation of the dipole moment.

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.

1D spin crossover (SCO) solids which convert between the low-spin (LS) and the high-spin (HS) states are widely studied in the literature due to their diverse thermal and optical characters which allows obtaining many original behaviors, such as large thermal hysteresis, incomplete spin tran-sitions, as multi-step spin transitions with self-organized states. In the present work, we investigate the thermal behaviors of a system of two-elastically coupled 1D mononuclear chains, using the electro-elastic model, by including an elastic frustration in the nearest neighbors (nn) bond length distances of each chain. The chains are made of SCO sites that are coupled elastically through springs with their nn and next-nearest neighbors. The elastic inter-chain coupling includes diagonal springs, while the nn inter-chains distance is fixed to that of the high-spin state. The model is solved using MC simulations, performed on the spin states and the lattice distortions. When we only frustrate the first chain, we found a strong effect on the thermal-dependence of the HS fraction of the second chain, whose, by lowering its transition temperature which is also accompanied with the appearance of a significant residual HS fraction at low temperature. In the second step, we frustrate both chains by imposing different frustration rates and found that, for high frustration values, the thermal dependence of the total HS fraction exhibits three step and even four step spin transitions. The careful examination of the spin state structures in the plateau regions revealed the existence of special antiferro-elastic structure of type LSLS-HSHS-LSLS-HSHS along the first chain, and HSHS-LSLS-HSHS-LSLS along the second, also showing that the two chains seem to be antifer-ro-elastically coupled. This type of organization is interesting, because it anticipates the possible existence of periodic structures made of alternate 1D antiferro-like HS-LS strings coupled in the ferro-like fashion along the interchain direction in the 2D case.

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.

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.

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.

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.

The simultaneous breaking of time-reversal and inversion symmetry, in connection to superconductivity, leads to transport properties with disrupting scientific and technological potential. Indeed, the anomalous Josephson effect and the superconducting diode effect hold promises to enlarge the technological applications of superconductors and nanostructures in general. In this context, the system we theoretically analyze is a Josephson junction (JJ) with coupled reconstructed topological channels as a link; such channels are at the edges of a two-dimensional topological insulator (2DTI). We find a robust $\varphi_0$ Josephson effect without requiring the presence of external magnetic fields. Our results, which rely on a fully analytical analysis, are substantiated by means of symmetry arguments: Our system breaks both time-reversal symmetry and inversion symmetry. Moreover, the anomalous current increases as a function of temperature. We interpret this surprising temperature dependence by means of simple qualitative arguments based on Fermi's golden rule.

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.

We study the performance of an endoreversible magnetic Otto cycle with a working substance composed of a single quantum dot described using the well-known Fock-Darwin model. We find that tuning the intensity of the parabolic trap (geometrical confinement) impacts the proposed cycle’s performance, quantified by the power, work, efficiency, and parameter region where the cycle operates as an engine. We demonstrate that a parameter region exists where the efficiency at maximum output power exceeds the Curzon-Ahlborn efficiency, the efficiency at maximum power achieved by a classical working substance.

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.

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.

The DEP force is usually calculated from the object’s point of view using the interaction of the object’s induced dipole moment with the inducing field. Recently, we described the DEP behavior of high- and low-conductive 200-µm 2D spheres in a square 1x1mm chamber with a plane-versus-plane electrode configuration from the system’s point of view. Here we extend our previous considerations to the plane-versus-plane and pointed-versus-pointed electrode configurations. The trajectories of the sphere center and the corresponding DEP forces were calculated from the gradient of the system’s overall energy dissipation for given starting points. The dissipation’s dependence on the sphere’s position in the chamber is described by the numerical “conductance field”, which is the DC equivalent of the capacitive charge-work field. While the plane-versus-plane electrode configuration is field-gradient free without an object, the presence of the highly or low-conductive spheres generates structures in the conductance fields, which result in very similar DEP trajectories. For both electrode configurations, the model describes trajectories with multiple endpoints, watersheds, and saddle points, very high attractive and repulsive forces in front of pointed electrodes, and the effect of mirror charges. Because the model accounts for inhomogeneous polarization within the objects, the approach allows the modeling of the complicated interplay of attractive and repulsive forces near electrode surfaces and chamber edges. Non-reversible DEP forces or asymmetric magnitudes for the highly and low-conductive spheres in large areas of the chamber indicate the presence of higher-order moments, mirror charges, etc.

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).

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 $2\phi_0$.

We have detected a large Nernst effect in the CDW state of the multiband organic metal α−(BEDT−TT)2KHg(SCN)4. We find that there exists a significant gradient of charge relaxation processes that can generate a sizeable contribution adding especially to the transverse thermoelectric signal. Apart from the phonon drag, the energy relaxation processes governing the electron-phonon interactions and the momentum relaxation processes governing the charge mobility of the q1D group of carriers have a significant role in observing the large Nernst signal in the CDW state. The emphasised momentum relaxation dynamics in the low field CDW state is a clear indicator of a significant carrier mobility that can lead to the largest Nernst signal in this state. The momentum relaxation is reduced with increasing angle and magnetic field, i.e., in the high field CDW state which is reflected in the smaller Nernst effect amplitude. In this case only the phonon drag and electron-phonon interactions are contributing to the transverse thermoelectric signal. Our findings advance and change the previous observations on the complex properties of this organic metal.

New nanocomposite material was prepared by high pressure processing of starting glass of nominal composition NaFePO$_{4}$. Thermal, structural, electrical and dielectric properties of the prepared samples were studied by differential thermal analysis (DTA), X-ray diffraction (XRD) and broadband dielectric spectroscopy (BDS). It was demonstrated that high pressure – high temperature treatment (HPHT) led to an increase of electrical conductivity of initial glasses by 2 orders of magnitude. It was also shown that the observed effect was stronger than for lithium analogue of this material studied by us earlier. The observed enhancement of conductivity was explained by Mott’s theory of electron hopping, which is more frequent in sample after pressure treatment. The final composite consisted of nanocrystalline NASICON and alluaudite phases, which are electrochemically active in potential cathode materials for Na batteries. Average dimensions of crystallites estimated from XRD studies were between 40 and 90 nm, depending on the phase. Some new aspects of local dielectric relaxations in studied materials were also discussed. It was shown that a combination of high pressures and BDS method is a powerful method to study relaxation processes and molecular movements in solids. It was also pointed out that high-pressure cathode materials may exhibit higher volumetric capacities compared with commercially used cathodes with carbon additions.

Cellulose nanocrystals (CNCs) are a kind of nano-inclusions that have experienced tremendous expansion in the material industry due to their outstanding mechanical qualities, sizable surface area, and capacity for functional tuning. Due to their vast potential, however, present practises fall short of fully using them. For example, employing CNCs in various matrices with various surface chemistries can be challenging; this problem tends to get worse if the focus is furthered on bio-based applications. This paper reviews the use of CNCs as fillers in natural and man-made polymers; we have explored in depth the production, characterisation, and of CNCs from various sources and their inclusion into various matrices. Surface alterations and the introduction of CNCs in biodegradable polymer can have a significant impact on several industrial behemoths such as tissue engineering and biomedical applications; therefore, pursue of current manuscript is extremely warranted. Throughout the manuscript various assembly techniques that involves alteration and adjustment of polymer network in building up a hydrogel with higher fracture energy and mechanical properties are also included. From rheological perspective the hydrogel processing is also discussed with some models routinely used in the literature to describe these hydrogels. Finally, bio-based hydrogels mechanically reinforced with CNCs such as Xanthan Gum, Alginate, protein, and polysaccharides were discussed.

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.

In this work we study the recently developed parametrized partition function formulation and show how we can infer the thermodynamic properties of fermions based on numerical simulation of bosons and distinguishable particles at various temperatures. In particular, we show that in the three dimensional space defined by energy, temperature and the parameter characterizing parametrized partition function, we can map the energies of bosons and distinguishable particles to fermionic energies through constant-energy contours. We apply this idea to both noninteracting and interacting Fermi systems and show it is possible to infer the fermionic energies at all temperatures, thus providing a practical and efficient approach to obtain thermodynamic properties of large fermion systems with numerical simulation. As an example, we present energies for up to 50 noninteracting fermions and up to 20 interacting fermions at all temperatures and show good agreement with the analytical result for noninteracting case.

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

The problem of fluid dynamics can be greatly simplified if, for every point in space, the strain-rate tensor is diagonalized. This tensor is introduced into the Navier-Stokes equations via material law and divergence of the stress tensor. This article shows that local SO(3)xU(1) gauge fields can be used to locally diagonalize the diffusion components of the strain-rate tensor. The gauge fields resulting from the connection can be interpreted as convection components of the flow, they show properties of quasiparticles and can be interpreted as elementary vortices. Thus, the proposed approach not only offers new insights for the solution and situative simplification of the Navier-Stokes equations, it also uncovers hidden symmetries within the flow convection, allowing - depending on boundary conditions - further interpretation.

The gauge field equation for fluid mechanics established in Part 1 is developed into a first-order scattering theory in the simplified case of a two-dimensional incompressible flow over a flat plate. This is used to present a model for the origin of Tollmien-Schlichting (TS) waves based on scattering between fluid particles. As a result, analytical formulae for the maximum amplification factor and the transition point from laminar to turbulent flow in the boundary layer are obtained. The mathematical transformations from the stationary field equations in Part 1 to a scattering theory with time evolution along the flow axis using Wick rotation are elaborated in detail.

A set of programs for the numerical simulation of the diffusion decomposition processes was developed by using simulation methods, kinetic and particle method. The complex has been validated on the model system Ni-Al by the growth of -phase separations. The results on the evolution of the distribution function and other characteristics of the ensemble, which in the zero volume fraction approximation are asymptotically in good agreement with the theory and the experiment, have been obtained. The peculiarity of the created program complex is the possibility of its adaptation to the description of the decomposition of multicomponent multiphase systems. Fig. 6, list of references - 19 titles.

To clarify the relationships among critical temperature, critical magnetic field, and critical current density, this paper describes many-body interactions of quantum magnetic fluxes (i.e., vortices) and calculates pinning-related critical current density. All calculations are analytically derived, without numerical or fitting methods. Afteralculating a magnetic flux quantum mass, we theoretically obtain the critical temperature in a many-body interaction scenario (which can be handled by our established method). We also derive the critical magnetic field and inherent critical current density at each critical temperature. Finally, we determine the pinning-related critical current density with self-fields. The relationships between the critical magnetic field and critical temperature, inherent critical current density and critical temperature, and pinning critical current density and temperature were consistent with experimental observations. From the critical current density and critical magnetic field, we clarified the magnetic field transition. It appears that a magnetic flux quantum collapses when the lattice of magnetic flux quanta melts. Our results, combined with our previously published papers, provide a comprehensive understanding of the transition points in high-T_c cuprates.

The experimental realization of twisted bilayer graphene strongly pushed the inspection of bilayer systems. In this context, it was recently shown that a two layer Haldane model with a thirty degree rotation angle between the layers represents a higher order topological insulator, with zero-dimensional states isolated in energy and localized at the physical vertices of the nanostructure. We show, within a numerical tight binding approach, that the energy of the zero dimensional states strongly depends on the geometrical structure of the vertices. In the most extreme cases, once a specific band gap is considered, these bound states can even disappear just by changing the vertex structure.

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.

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.

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 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.

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.

We develop an 1/n expansion method for the systematic approxi- mation of the solutions of classical spin systems (tri-dimensional vec- tors) which can describe general spin-spin interactions and phases with complex magnetization pattern. This method is applied to study the phase transitions observed in pyrochlore crystals (e.g. Gd₂ Ti₂ O₇ ) and the results have qualitative agreement with the experimental ones.

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.

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.

The main aspects of material research: material synthesis, material structure, and material properties, are interrelated. Acquiring atomic structure information of electron beam sensitive materials by electron microscope, such as porous zeolites, organic-inorganic hybrid perovskites, metal-organic frameworks, is an important and challenging task. The difficulties in characterization of the structures will inevitably limit the optimization of their synthesis methods and further improve their performance. The emergence of integrated differential phase contrast scanning transmission electron microscopy (iDPC-STEM), a STEM characterization technique capable of obtaining images with high signal-to-noise ratio under lower doses, has made great breakthroughs in the atomic structure characterization of these materials. This article reviews the developments and applications of iDPC-STEM in electron beam sensitive materials, and provides an outlook on its capabilities and development.

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

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.

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.

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.

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.

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 &gt;1 (B&lt;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.

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.

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.

In Ref. [1] Snider et al reported room temperature superconductivity in carbonaceous sulfur hydride (CSH) under high pressure. Recently the data for the temperature dependent ac magnetic susceptibility shown in figures of Ref [1] have appeared in the form of tables corresponding to different pressures [2]. Here we provide an analysis of the data for a pressure of 160 GPa. This work was performed in collaboration with D. van der Marel.

In this review paper, an overview of radiation induced deep level defects in n-type 4H-SiC studied by junction spectroscopy techniques, is given. In addition to carbon vacancy (Vc), present in as-grown material already, we focus on the following deep level defects: silicon vacancy (VSi), carbon interstitial (Ci), and carbon antisite-carbon vacancy (Csi-Vc) pair. Recent advances in measurements by junction spectroscopy techniques that have led the progress toward better understanding of radiation induced defects are presented.

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.

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.

In ref. [1], we pointed out that certain anomalies observed in the published data for ac magnetic susceptibility of a room temperature superconductor reported in Nature 586, 373 (2020) [2] would be cleared up once the measured raw data were made available. Part of the measured raw data were recently posted in arXiv:2111.15017 [3]. Here we report the results of our analysis of these raw data and our conclusion that they are incompatible with the published data. Implications of these results to the claim that the material is a room temperature superconductor are discussed.

A procedure, dedicated to superconductivity, is extended to study the properties of interacting electrons in normal metals in the thermodynamic limit. Each independent-electron band is shown to split into two correlated-electron bands. Excellent agreement is achieved with Bethe's wave-function for the one-dimensional Hubbard model. The groundstate energy, reckoned for the two-dimensional Hubbard Hamiltonian, is found to be lower than values, obtained thanks to the numerical methods. This analysis applies for any spatial dimension and temperature.

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.

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.

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.

We continue in this paper to illustrate the implications of the Dual Model of Liquids (DML) by deriving the expression for the isochoric specific heat as function of the collective degrees of freedom available at a given temperature and analyzing its dependence on temperature. Two main tasks will be accomplished. First, we show that the expression obtained for the isochoric specific heat in the DML is in line with the experimental results. Second, the expression will be compared with the analogous one obtained in another theoretical dual model of the liquid state, the Phonon Theory of Liquid Thermodynamics. This comparison will allow to get interesting insights about the number of collective degrees of freedom available in a liquid and on the value of the isobaric thermal expansion coefficient, two quantities that are related to each other in this framework.

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 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.

The development of microelectronics is always driven by reducing transistor size and increasing integration, from the initial micron-scale to the current few nanometers. The photolithography technique for manufacturing the transistor needs to reduce the wavelength of the optical wave, from ultraviolet, deep, to the existing extreme ultraviolet light. One approach toward decreasing the working wavelength is using lithography based on beyond extreme ultraviolet radiation (BEUV) with a wavelength around 7 nm. The BEUV lithography relies on advanced reflective optics such as periodic multilayer film X-ray mirrors (PMMs). PMMs are artificial Bragg crystals having alternate layers of “light” and “heavy” materials. The periodicity of such a structure is relatively half of the working wavelength. Since a BEUV lithographical system contains at least 10 mirrors, optics’ reflectivity becomes a crucial point. The increasing of a single mirror's reflectivity by 10% will increase the system’s overall throughput by 6 times. In this work, the properties and development status of PMMs, particularly for BEUV lithography, were reviewed to gain a better understanding of their advantages and limitations. Emphasis was given to materials, design concepts, structure, deposition method, and optical characteristics of these coatings.