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

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

New proposals for the equation of state of four- and five-dimensional hard-hypersphere mixtures in terms of the equation of state of the corresponding monocomponent hard-hypersphere fluid are introduced. Such proposals (which are constructed in such a way so as to yield the exact third virial coefficient) extend, on the one hand, recent similar formulations for hard-disk and (three-dimensional) hard-sphere mixtures and, on the other hand, two of our previous proposals also linking the mixture equation of state and the one of the monocomponent fluid but unable to reproduce the exact third virial coefficient. The old and new proposals are tested by comparison with published molecular dynamics and Monte Carlo simulation results and their relative merit is evaluated.

Societies around the world face serious energy problems related to the consumption of fossil fuels and the emission of dangerous radiation. To solve these problems, a new superconductor exhibiting a critical temperature higher than room temperature has been pursued but not achieved. This paper proposes a new energy generation system based on a circuit approach. Secondary to this process, a new type of superconductivity without refrigeration is demonstrated. In our previous paper [1], this system was proposed, but it did not describe the underlying theory in detail and did not mention an actual method to generate energy from the system. The present paper describes the theory of the existence of divergent current density and new superconductivity with no refrigeration. Moreover, the present paper proposes a method for extracting energy from the system by employing a voltage-controlled current source (i.e., a voltage–current converting method).The principle of the system is based on a circuit of two loops and independent current sources. First, the two electric loops are prepared, each with 4 diodes, where the diodes are oriented in the same direction within each loop, but their direction is opposite from loop to loop; four independent current sources connect the loops. In this circuit system, current is added iteratively as it flows along the loop according to Kirchhoff’s circuit law. As a result, a large current and electric potential are present along the loop. To confirm that this system works properly, it is necessary to demonstrate the presence of divergent currents in the transient state, and to do this, the present paper employs the Dirac equation and Lorentz conservation. Electric circuit software is employed to demonstrate that the presented method generates energy actually from our system.Our results confirm the presence of divergent current at a connected point of an independent current source in the transient state. Moreover, in the steady state, the theory demonstrates the Meissner effect (i.e., a London equation) and a new type of macroscopic wave function and condensation. For an initial small input current of 0.1 μA, the simulation reveals a large generating current of 7 kA and electric power of 10¹¹ W, which is much larger than unit of power from an average thermal power station; moreover, the system presents with superconducting electrical transport conditions.The present study is significant because it demonstrates theoretically the existence of divergent current density and a new type of superconductivity requiring no refrigeration. Secondly, the simulations show the generation of a large energy density that can be obtained in a small laboratory room with minimal cost.

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

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

In crystal periodic structure prediction, a basic and general equation is needed to determine their period vectors (cell edge vectors), especially under arbitrary external stress. It was derived in Newtonian dynamics years ago, which can be combined with quantum physics by further modeling. Here a new and concise approach based on the principles of statistical physics was employed to derive it into a new form, then applicable to both classical physics and quantum physics by its own. The new form also turned out to be the specific explicit equilibrium condition and the equation of state for crystals under external stress and temperature. This work was also compared with the elasticity theory.

In crystal periodic structure prediction, a basic and general equation is needed to determine their period vectors (cell edge vectors), especially under arbitrary external stress. It was derived in Newtonian dynamics years ago, which can be combined with quantum physics by further modeling. Here a new and concise approach based on the principles of statistical physics was employed to derive it into a new form, then applicable to both classical physics and quantum physics by its own. The new form also turned out to be the specific explicit equilibrium condition and the equation of state for crystals under external stress and temperature. Contrary to a general belief, the new form also concluded that harmonic oscillators can cause crystal thermal expansion.

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

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

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

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

Recently, Troyan et al (2019 arXiv:1908.01534) and Kong et al (2019 arXiv:1909.10482) extended near-room-temperature superconductors family by new yttrium superhydride polymorphs, YH_n (n = 4,6,7,9), which exhibit superconducting transition temperatures in the range of T_c = 210-243 K at pressure of P = 160-255 GPa. In this paper, temperature dependent upper critical field data, B_c2(T), for highly-compressed mixture of YH₄+YH₆ phases (reported by Kong et al 2019 arXiv:1909.10482) is analysed to deduce the ratio of T_c to the Fermi temperature, T_F. Our analysis shows that in all considered scenarios the YH₄+YH₆ mixture has the ratio 0.01 ≤ T_c/T_F ≤ 0.04. As the result, YH₄+YH₆ falls in the unconventional superconductors band in the Uemura plot. It is also found that the characteristic temperature of the order parameter amplitude fluctuations, T_fluc, in the YH₄+YH₆ mixture is only several percent above observed T_c, and thus the superconducting transition in yttrium superhydride polymorphs is fundamentally limited by thermodynamics fluctuations.

The present article addresses the long-standing problem of the polymer brush bilayers under stationary shear flow at non-linear response regime where the system gets a non-Newtonian fluid. The main idea behind this research would be the fact that the immense lubricity of the polymer brush bilayers originates from a global restructuring that takes place at large shear rates. It is shown here that physical quantities like, stress tensor, viscosity tensor, the friction coefficient and the chain extensions could become dependent on the shear rate at non-Newtonian regime. Apparently, the sub-linear scaling of the physical quantities at large shear rates is solely due to the fact that the chains stretch in the shear direction.

The paper provides information on significant contamination of real laboratory water with hydrophilic microimpurities. This fact suggests that researchers are practically dealing with microdispersed systems. However, this fact is usually neglected in the discussions of the causes of the anomalous properties of water. We will show that, when exposed to various factors of physical nature, water demonstrates reactions of the same type, namely, increased pH and electrical conductivity, reduced redox potential and viscosity, and enhanced bioavailability. Each exposure is accompanied by the destruction of aggregates of the dispersed phase and its transition to a fine-dispersed state. The relationship between this phenomenon and the change in the physicochemical properties of water is discussed.

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

We investigate a notable class of states peculiar to a bosonic binary mixture featuring repulsive intraspecies and attractive interspecies couplings. We evidence that, for small values of the hopping amplitudes, one can access particular regimes marked by the fact that the interwell boson transfer occurs in a jerky fashion. This property is shown to be responsible for the emergence of a staircase-like structure in the phase diagram and to strongly resemble the mechanism of the superfluid-Mott insulator transition. Under certain conditions, in fact, we show that it is possible to interpret the interspecies attraction as an effective chemical potential and the supermixed soliton as an effective particle reservoir. Our investigation is developed both within a fully quantum approach based on the analysis of several quantum indicators and by means of a simple analytical approximation scheme capable of capturing the essential features of this ultraquantum effect.

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

This study reports a general scenario for the out-of-equilibrium features of collapsing polymeric architectures. We use molecular dynamics simulations to characterize the coarsening kinetics, in bad solvent, for several macromolecular systems with an increasing degree of structural complexity. In particular, we focus on: flexible and semiflexible polymer chains, star polymers with 3 and 12 arms, and microgels with both ordered and disordered networks. Starting from a powerful analogy with critical phenomena, we construct a density field representation that removes fast fluctuations and provides a consistent characterization of the domain growth. Our results indicate that the coarsening kinetics presents a scaling behaviour that is independent of the solvent quality parameter, in analogy to time-temperature superposition principle. Interestingly, the domain growth in time follows a power-law behaviour that is approximately independent of the architecture for all the flexible systems; while it is steeper for the semiflexible chains. Nevertheless, the fractal nature of the dense regions emerging during the collapse exhibits the same scaling behaviour for all the macromolecules. This, suggests that the faster growing length scale in the semiflexible chains originates just from a faster mass diffusion along the chain contour, induced by the local stiffness. The decay of the dynamic correlations displays scaling behavior with the growing length scale of the system, which is a characteristic signature in coarsening phenomena.

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

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

In crystal periodic structure prediction, a general equation is needed to determine the period vectors (cell edge vectors), especially when crystals are under arbitrary external stress. It has been derived in Newtonian dynamics years ago, which can be combined with quantum mechanics by further modeling. Here we derived such an equation in statistical physics, applicable to both classical physics and quantum physics by itself.

Different aspects in applying the nucleation theorem to the description of crystallization of liquids are analyzed. It is shown that, by employing the classical Gibbs' approach in the thermodynamic description of heterogeneous systems and assuming that the basic assumptions of classical nucleation theory commonly employed in application to crystallization hold, a general form of the nucleation theorem can be formulated valid not only for one-component but generally for multi-component systems. This result is taken then as the starting point for the derivation of particular forms of this theorem for the cases that the deviation from equilibrium is caused by variations of either composition of the liquid phase, temperature, or pressure. In this procedure, recently developed by us expressions for the curvature dependence of the surface tension, respectively, the dependence of the surface tension on pressure and/or temperature are employed. It is shown that the formulation of the nucleation theorem as proposed by Kashchiev [J. Chem. Phys. 76, 5098-5102 (1982)] holds also for multi-component systems as far as mentioned above assumptions are fulfilled. In the application of classical nucleation theory to crystallization processes it is assumed as one of its basic ingredients that the bulk properties of the critical clusters are widely identical to the properties of the newly evolving crystal phase. This assumption is, however, in general, it is not true. This limitation of the theoretical description can be overcome by the application of the generalized Gibbs approach for the specification of the dependence of the properties of critical crystal clusters on the degree of metastability of the liquid phase. Applying this method, it is demonstrated that a similar formulation of the nucleation theorem as derived based on classical nucleation theory holds true also in cases when a dependence of the state parameters of the critical clusters on the degree of deviation from equilibrium is appropriately accounted for.

This paper proposes a method to generate a new type of superconductivity that is temperature independent with a high critical current density. This study is significant because the method does not require refrigeration, specific setups, or specific substances. That is, the method for generating the superconductivity is very simple. Many conventional superconductor studies have not yet reached this point. Moreover, compared with our previously developed superconductivity (PNS) [1-3], the critical currents in this study are much larger, which is important for practical applications. In the theoretical approaches, even though the mechanism of pairing, and the Bose–Einstein condensation are the same in this study as in PNS, the present paper emphasizes the mechanism of the Meissner effect in addition to formulating the critical current density. Further, we establish a simulation method with an equivalent circuit that reveals the superconductivity properties in terms of the transport current and the electromagnetic characteristics.The principles of the presented system are as follows:First a voltage source, a current source and a load are connected in series.Then, the voltage of the voltage source is adjusted to balance the voltage of the load.Under this condition, the balance of the two voltages provides a zero voltage between the taps of the current source and the generated current from the voltage source becomes zero because of the internal infinite resistance of the current source.As a result, the electric power generated by the two sources is zero, and therefore, the load cannot generate Joule heating because of energy conservation.However, the current from the current source (not the voltage source) is not zero; therefore, we can predict that the resistance of the load must be zero.A summary of our theory and numerical calculations is as follows. First, the strong combination of a two-electron pair is demonstrated. Then, given that two electrons combine extremely strongly because of the spin magnetic attractive force, analytical calculations of the center-of-mass motion of the Hamiltonian of the pair eventually result in a macroscopic wave function. From this macroscopic wave function, we derive a London equation using the concept of an internal toroid. The key point is that, when a sample exhibits a Meissner effect, it should release the additional energy from the internal magnetic field as a discharge current, which involves a negative voltage. Based on the inductance of this toroid, an equivalent circuit is produced. Using this circuit, we simulate this phenomenon, which results in the generation of a negative voltage and evidence of the Meissner effect, in addition to zero voltages and non-zero currents for the sample.

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.

Satterthwaite and Toepke (1970 Phys. Rev. Lett. 25 741) discovered that Th₄H₁₅-Th₄D₁₅ superhydrides exhibit superconductivity and have no isotope effect. The latter is fundamental contradiction with the concept of electron-phonon mediated superconductivity of Bardeen-Cooper-Schrieffer (BCS) theory. Soon after this work, Stritzker and Buckel (1972 Zeitschrift für Physik A Hadrons and nuclei 257 1-8) reported that superconductors in PdH_x-PdD_x system exhibit reverse isotope effect. Yussouff et al (1995 Solid State Communications 94 549) extended this finding on PdH_x-PdD_x-PdT_x system. Recent interest to hydrogen- and deuterium-rich superconductors is based on the discovery of near-room-temperature superconductivity in highly-compressed H₃S (Drozdov et al. 2015 Nature 525 73) and LaH₁₀ (Somayazulu et al 2019 Phys. Rev. Lett. 122 027001). To date, there is no clarity about isotope effect in H₃S-D₃S system, because thorough examination of available experimental data reported by Drozdov et al (2015 Nature 525 73) shows that H₃S-D₃S system perhaps has reverse isotope effect. In attempt to reaffirm/disprove our primary idea that the mechanism for near-room-temperature superconductivity in hydrogen-rich superconductors is not BCS electron-phonon interaction, we analyse the upper critical field data, B_c2(T), in Th₄H₁₅-Th₄D₁₅ phases (Satterthwaite and Toepke 1970 Phys. Rev. Lett. 25 741) and two recently discovered high-pressure hydrogen-rich phases of ThH₉ and ThH₁₀ (Semenok et al 2019 arXiv:1902.10206). As the result, it is found that all known to date thorium super-hydrides/deuterides are unconventional superconductors which have T_c/T_F ratios within a range of 0.008 < T_c/T_F < 0.120, where T_c is the superconducting transition temperature and T_F is the Fermi temperature.

Recently, several research groups have reported on anomalous enhancement of the self-field critical currents, Ic(sf,T), at low temperatures in superconductor/Dirac-cone material/superconductor (S/DCM/S) junctions. Some papers attributed the enhancement to the low-energy Andreev bound states arising from winding of the electronic wave function around DCM. In this paper, Ic(sf,T) in S/DCM/S junctions have been analyzed by two approaches: modified Ambegaokar-Baratoff and ballistic Titov-Beenakker models. It is shown that the ballistic model is an inadequate tool to analyze experimental data from S/DCM/S junctions. The primary mechanism for limiting superconducting current in S/DCM/S junctions is different from the conventional view that the latter is the maximum value within the order parameter phase variation. Thus, there is a need to develop a new model for self-field critical currents in S/DCM/S systems.

Spatially uniform optical excitations can induce Floquet topological band structures within insulators which can develop similar or equal characteristics as are known from three-dimensional topological insulators. We derive in this article theoretically the development of Floquet topological quantum states for electromagnetically driven semiconductor bulk matter and we present results for the lifetime of these states and their occupation in the non-equilibrium. The direct physical impact of the mathematical precision of the Floquet-Keldysh theory is evident when we solve the driven system of a generalized Hubbard model with our framework of dynamical mean field theory (DMFT) in the non-equilibrium for a case of ZnO. The physical consequences of the topological non-equilibrium effects in our results for correlated systems are explained with their impact on optoelectronic applications.

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.

We show how the excitonic features of biaxial MoS₂ flakes are very sensitive to biaxial strain. We find a lower bound for the gauge factors of the A exciton and B exciton of (-41 ± 2) meV/% and (-45 ± 2) meV/% respectively, which are larger than those found for single-layer MoS₂. Interestingly, the interlayer exciton feature also shifts upon biaxial strain but with a gauge factor that is systematically larger than that found for the A exciton, (-48 ± 4) meV/%. We attribute this larger gauge factor for the interlayer exciton to the strain tunable van der Waals interaction due to the Poisson effect (the interlayer distance changes upon biaxial strain).

The high figure of merit and earth abundance of Cu₁₂Sb₄S₁₃ thermoelectric ma- terials have recently attracted many attentions toward these type of complex compounds. Intrinsic low thermal conductivity, as well as tunable electronic transport properties, make them suitable for thermoelectric power generation. In this study, we perform a comparative theoretical study on the substituted compounds, primarily at the Cu site including known tetrahedrite Cu₁₂Sb₄S₁₃, by means of first-principles calculations. The density functional theory of electric structure is applied to investigate the result of substitution.

In this article, the effect of substitution of Zr and Ga in Dy2Fe17 prepared by arc melting technique are studied. The substitution of Zr and Ga in Dy2Fe17 was found to have an important effect on their structure and magnetic properties. The Rietveld analysis conformed that the crystalline system wereTh2Ni17 structure. Lattice parameters a (Å) and c (Å), unit cell volume (Å3), bonding distance (Å) were calculated by using Rietveld analysis. The unit cell volume of Dy2Fe17-xZrx and Dy2Fe16Ga1-xZrx increase linearly with the Zr and Ga substitution. The substitution of Zr and Ga are limited up to x=1 in order to avoid the decrease in saturation magnetization. The Curie temperature (Tc) of Dy2Fe17-xZrx and Dy2Fe16Ga1-xZrx are found to be Zr content dependent. The Curie temperature is found to be increasing first and then decrease for higher Zr content. The maximum curie temperature was observed 510K at x = 0.75 for Dy2Fe17-xZrx and 505.1 K at x = 0.5 for Dy2Fe17-xZrx which are102 K and 97 K higher than Dy2Fe17. The room temperature Mössbauer analysis shows the decrease in average hyperfine field and increase in isomer shift with Zr doping.

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

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

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

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

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

The spatial formation of coherent random laser modes in strongly scattering disordered random media is a central feature in the understanding of the physics of random lasers. We derive a quantum field theoretical method for random lasing in disordered samples of complex amplifying Mie resonators which is able to provide self-consistently and free of any fit parameter the full set of transport characteristics at and above the laser phase transition. The coherence length and the correlation volume respectively is derived as an experimentally measurable scale of the phase transition at the laser threshold. We find that the process of stimulated emission in extended disordered arrangements of active Mie resonators is ultimately connected to time-reversal symmetric multiple scattering in the sense of photonic transport while the diffusion coefficient is finite. A power law is found for the random laser mode diameters in stationary state with increasing pump intensity.

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

A basic and general equation to determine period vectors (cell edge vectors) is necessary in physics, especially when crystals are under external stress. It has been derived in Newtonian dynamics. Since statistical physics should also generate such equation, we will provide a derivation. By extending the normal derivation for crystals under external pressure, regarding crystal cells as being filled with continuous media, formulating the work done by the external stress on the crystal explicitly, and deriving the forces on the surfaces of the cells by the external stress, we arrived at the equation for the period vectors, which is in principle the same as the above mentioned counterpart achieved in Newtonian dynamics. Everything also restores when the external stress reduces to the special case of external pressure. It should be applicable when crystals are under different pressures in different directions, like in piezoelectric and piezomagnetic phenomena.

Molecular dynamics(MD) simulations are carried out to characterize the mechanicalproperties and failure behavior of van der Waals heterostructures composed ofgraphene and hexagonal boron nitride(hBN) single layer sheets. The graphene–hBNand hBN–graphene–hBN heterostructures simulations are carried out under tensileand shear deformation. Accordingly, stress versus strain curves of each systemare plotted and various properties of heterostructures, namely elastic modulusand shear modulus as well as failure stress and failure strain, are evaluatedand compared with one another as well as with the pristine graphene and hBNsheets. Subsequently, the failure mechanism/characterization of each sheet in theheterostructures is described. Alternatively, the elastic and shear modulus of eachheterostructure are computed by means of rule of mixture(ROM) which are in goodagreement with results that are obtained from MD simulations.

A basic and general equation to determine their period vectors (cell edge vectors) is necessary in physics, especially when crystals are under external stress. It has been derived in Newtonian dynamics in these years. Since statistical physics should also generate such, here we derive it. By extending the normal way for crystals under external pressure, regarding crystal cells as being filled with continuous media, writing the work done by the external stress on the crystal explicitly, and deriving the forces on the surfaces of the cells by the external stress, we arrived at the equation for the period vectors, which is in principle the same as the above mentioned counterpart achieved in Newtonian dynamics. It should be applicable when crystals are under different pressures in different directions, like in piezoelectric and piezomagnetic phenomena.

Fluctuation theorems are a class of equalities each of which links a thermodynamic path functional such as heat and work to a state function such as entropy and free energy. Jinwoo and Tanaka [L. Jinwoo and H. Tanaka, Sci. Rep. 5, 7832 (2015)] have shown that each microstate of a fluctuating system can be regarded as an ensemble (or a 'macrostate') if we consider trajectories that reach each microstate. They have revealed that local forms of entropy and free energy are true thermodynamic potentials of each microstate, encoding heat, and work, respectively, within an ensemble of paths that reach each state. Here we show that information that is characterized by the local form of mutual information between two subsystems in a heat bath is also a true thermodynamic potential of each coupled state and encodes the entropy production of the subsystems and heat bath during a coupling process. To this end, we extend the fluctuation theorem of information exchange [T. Sagawa and M. Ueda, Phys. Rev. Lett. 109, 180602 (2012)] by showing that the fluctuation theorem holds even within an ensemble of paths that reach a coupled state during dynamic co-evolution of two subsystems.

As predicted by the theory of super dielectric materials, simple tests demonstrate that dielectric material on the outside of a parallel plate capacitor dramatically increases capacitance, energy density, and power density.  Simple parallel plate capacitors with only ambient air between the plates behaved as per standard theory. Once the same capacitor was partially submerged in deionized water [DI], or DI with low dissolved NaCl concentrations, still with only ambient air between the electrodes, the capacitance, energy density, and power density, at low frequency, increased by more than seven orders of magnitude.  Notably, conventional theory precludes the possibility that material outside the volume between the plates will in any fashion impact capacitive behavior.

InGaN/GaN samples grown on c-plane sapphire substrate with different In concentrations by metal organic chemical vapor deposition are demonstrated. The subsequent capping GaN layer growth opens a possibility for dislocation reduction due to the lateral strain relaxation in growth geometry. We present the further growth optimization and innovative characterization of InGaN layers overgrown on different structures with varying In concentrations. The photoelectrical and optical properties of the InGaN layers with or without capping GaN layer were investigated by time-resolved picosecond transient grating and temperature dependence photoluminescence. We note a 10-fold increase in carrier lifetime in the InGaN layers when the sample structure changes from PIN to single InGaN layer.

Even though the current classic aerospace propulsion methods are greatly improved, some of the most modern methods have already been introduced, among which the propulsion with electric motors. Energy can be obtained from hydrogen burners, honeycomb burners to protect the burning of hydrogen that burns 10 times faster than conventional oil fuels or alcohols. Hydrogen storage is also done in honeycomb cell reservoirs. Getting solar photovoltaic power even during flight is not yet profitable or efficient, but it can be proposed in the future for lighter and/or spacecraft. A great desire is to dismantle water in hydrogen and oxygen directly on the aircraft, so the stored fuel is actually water and the one actually used is the hydrogen removed from the water. In this case, there is no need for hydrogen storage. And other modern methods of propulsion and energy acquisition are briefly presented in the paper.

In our publication from 8 years ago1 we calculated RKKY interaction between two magnetic impurities in graphene. The consideration was based on the perturbation theory for the thermodynamic potential in the imaginary time representation and direct evaluation of real space spin susceptibility. Only the case of zero temperature was considered. We show in this short notice that the approach can be easily generalized to the case of finite temperature.

In crystal structure prediction, Newton's second law can always be applied to particles (atoms or ions) in a cell to determine their positions. However the values of the period vectors (crystal cell edge vectors) should be determined as well. Here we applied the dynamical equations of period vectors derived recently based on Newton's laws (doi:/10.1139/cjp-2014-0518) for that purpose, where the period vectors are driven by the imbalance between the internal and external pressures/stresses. For equilibrium states, they became equations of state, which essentially turn out the equilibrium conditions of crystals from mechanical point of view. For external pressure, by ignoring some effects, they reduced to the Mie-Gruneisen equation. Since the internal stress has both a full kinetic energy term and a full interaction term, the influences of both external temperature and stress/pressure on crystal structures can be calculated, then thermodynamical properties and processes were presented. Contrary to usual ideas, the equations show that pure harmonic vibrating phonons can result in thermal expansion in crystals when the external temperature is changed. Finally, crystal system collapse due to temperature and/or stress/pressure change was discussed.

We review the latest developments in the field of the metal-insulator transition in strongly-correlated two-dimensional electron systems. Particular attention is given to recent discoveries of a sliding quantum electron solid and interaction-induced spectrum flattening at the Fermi level in high-quality silicon-based structures.

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

We report on comparison between temperature-dependent magneto¬absorption and magnetotransport spectroscopy of HgTe/CdHgTe quantum wells in terms of detection of phase transition between topological insulator and band insulator states. Our results demonstrate that temperature-dependent magnetospectroscopy is a powerful tool to discriminate trivial and topological insulator phases, yet magnetotransport method is shown to have advantages for clear manifestation of the phase transition with accurate quantitative values of transition parameter (i.e. critical magnetic field Bc).

In crystal structure prediction, Newton's second law can always be applied to particles (atoms or ions) in a cell to determine their positions. However the values of the period vectors (crystal cell edge vectors) should be determined as well. Here we applied the dynamical equations of period vectors derived recently based on Newton's laws (doi:/10.1139/cjp-2014-0518) for that purpose, where the period vectors are driven by the imbalance between the internal and external pressures/stresses. For equilibrium states, they became equations of state, which essentially turn out the equilibrium conditions of crystals from mechanical point of view. Additionally for external pressure, they became Mie-Gruneisen equation supposing the Gruneisen constant is 1/3, which means phonon frequency is inversely proportional to the cell length. Since the internal stress has both a full kinetic energy term and a full interaction term, the influences of both external temperature and stress/pressure on crystal structures can be calculated, then thermodynamical properties and processes were presented. Contrary to usual ideas, the equations show that pure harmonic vibrating phonons can result in thermal expansion in crystals when the external temperature is changed. Finally, crystal system collapse due to temperature and/or stress/pressure change was discussed.

In crystal structure prediction, Newton's second law can always be applied to particles (atoms or ions) in a cell to determine their positions. However the values of the period vectors (crystal cell edge vectors) should be determined as well. Here we applied the dynamical equation of period vectors derived recently based on Newton's laws (doi:/10.1139/cjp-2014-0518) for that purpose, where the period vectors are driven by the imbalance between the internal and external pressures/stresses. Since the internal stress has both a full kinetic energy term and a full interaction term, the influences of both external temperature and stress/pressure on crystal structures can be calculated, then thermodynamical properties and processes were presented. Contrary to usual ideas, the equations show that pure harmonic vibrating phonons can result in thermal expansion in crystals when the external temperature is changed. Finally, crystal system collapse due to temperature and/or stress/pressure change was discussed.

We study the performance of a classical and quantum magnetic Otto cycle with a quantum dot as a working substance using the Fock-Darwin model with the inclusion of the Zeeman interaction. Modulating an external/perpendicular magnetic field, we found in the classical approach an oscillating behavior in the total work that is not perceptible under the quantum formulation. Also, we compare the work and efficiency of this system for different regions of the Entropy, $S(T,B)$, diagram where we found that the quantum version of this engine always shows a reduced performance in comparison to his classical counterpart.

In crystal structure prediction, Newton's second law can always be applied to particles (atoms or ions) in a cell to determine their positions. However the values of the period vectors (crystal cell edge vectors) should be determined as well. Here we applied the dynamical equation of period vectors derived recently based on Newton's laws (doi:/10.1139/cjp-2014-0518) for that purpose, where the period vectors are driven by the imbalance between the internal and external pressures/stresses. Since the internal stress has both a full kinetic energy term and a full interaction term, the in uences of both external temperature and stress/pressure on crystal structures can be calculated in the form of microscopic equations of state. Then thermodynamical properties and processes were presented, with thermal expansion shown even if only harmonic vibrations for phonons are considered. Finally, crystal system collapse due to temperature and/or stress/pressure change is discussed.

In the present work, a superlattice structure comprising superconducting and insulator layers is studied. Here, if a magnetic field is applied parallel to the layers, the lack of a pinning center leads to a novel transition; in particular, as the applied magnetic field is reduced, the stationary wave surrounding the magnetic flux quantum in the superconducting layer eventually collides with the superconducting–insulating interfaces on both sides because its radius becomes larger than the width of the superconducting layer. At this instant, the stationary wave will collapse, and a transition will occur: the magnetic quanta are collapsed and thus the uniform magnetic field distribution is achieved, which corresponds to the transition from the superconducting state to the normal state over critical current. Considering a one-dimensional model of the structure, a critical current density equation is derived that indicates an increase in the critical current density for increased applied magnetic field. Subsequently, the same calculation was conducted after changing the direction of the magnetic field component, and the combination of these two calculations expresses the anisotropic property of the structure. The phenomenon is also predicted for anisotropic critical current density. This phenomenon is an important discovery that helps manufacture high-temperature superconducting tape as well as large high-temperature superconducting coils.

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

We previously reported new superconductivity produced by an electrostatic field and a diffusion current in a semiconductor without refrigeration. In particular, the superconductivity was investigated theoretically and confirmed experimentally. Here, we determine that the derived superconducting quantum state can be reproduced in a capacitor. When circuits are formed with this new-type capacitor and diodes, a magnetic field is applied to the diodes’ depletion layer. The depletion layer is biased because of the conversion from the magnetic-field energy to electric-field energy, resulting in the diodes’ spontaneously emitting a current. Thus, the new-type capacitor is charged using no other energy source. This new phenomenon is described theoretically with assistance of initial experiments.

The Voronoi entropy is a mathematical tool for quantitative characterization of the orderliness of points distributed on a surface. The tool is useful to study various surface self-assembly processes. We provide the historical background, from Kepler and Descartes to our days, and discuss topological properties of the Voronoi tessellation, upon which the entropy concept is based, and its scaling properties, known as the Lewis and Aboav-Weaire laws. The Voronoi entropy has been successfully applied to recently discovered self-assembled structures, such as patterned micro-porous polymer surfaces obtained by the breath figure method and levitating ordered water micro-droplet clusters.

tructural and superconducting properties of high quality Niobium nanofilms with different thicknesses are investigated on silicon oxide and sapphire substrates. The role played by the different substrates and the superconducting properties of the Nb films are discussed based on the defectivity of the films and on the presence of an interfacial oxide layer between the Nb film and the substrate. The X-ray absorption spectroscopy is employed to uncover the structure of the interfacial layer. We show that this interfacial layer leads to a strong proximity effect, specially in films deposited on a SiO2 substrate, altering the superconducting properties of the Nb films. Our results establish that the critical temperature is determined by an interplay between quantum-size effects, due to the reduction of the Nb film thicknesses, and proximity effects.

In this paper, we revisit the q-states clock model for small systems. We present results for the thermodynamics of the q-states clock model from $q=2$ to $q=20$ for small square lattices $L \times L$, with L ranging from $L=3$ to $L=64$ with free-boundary conditions. Energy, specific heat, entropy and magnetization are measured. We found that the Berezinskii-Kosterlitz-Thouless (BKT)-like transition appears for $q>5$ regardless of lattice size, while the transition at $q=5$ is lost for $L<10$; for $q\leq 4$ the BKT transition is never present. We report the phase diagram in terms of $q$ showing the transition from the ferromagnetic (FM) to the paramagnetic (PM) phases at a critical temperature T$_1$ for small systems which turns into a transition from the FM to the BKT phase for larger systems, while a second phase transition between the BKT and the PM phases occurs at T$_2$. We also show that the magnetic phases are well characterized by the two dimensional (2D) distribution of the magnetization values. We make use of this opportunity to do an information theory analysis of the time series obtained from the Monte Carlo simulations. In particular, we calculate the phenomenological mutability and diversity functions. Diversity characterizes the phase transitions, but the phases are less detectable as $q$ increases. Free boundary conditions are used to better mimic the reality of small systems (far from any thermodynamic limit). The role of size is discussed.

The heat and matter transfer during glucose catabolism in living systems and their relation with entropy production are a challenging subject of the classical thermodynamics applied to biology. In this respect, an analogy between mechanics and thermodynamics has been performed via the definition of the entropy density acceleration expressed by the time derivative of the rate of entropy density and related to heat and matter transfer in minimum living systems. Cells are regarded as open thermodynamic systems that exchange heat and matter resulting from irreversible processes with the intercellular environment. Prigogine’s minimum energy dissipation principle is reformulated using the notion of entropy density acceleration applied to glucose catabolism. It is shown that, for out-of-equilibrium states, the calculated entropy density acceleration is finite and negative and approaches as a function of time a zero value at global thermodynamic equilibrium for heat and matter transfer independently of the cell type and the metabolic pathway. These results could be important for a deeper understanding of entropy generation and its correlation with heat transfer in cell biology with special regard to glucose catabolism representing the prototype of irreversible reactions and a crucial metabolic pathway in stem cells and cancer stem cells.

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

A 9,10-phenanthrenequinone (PQ) was electrochemically polymerized on a graphite rod electrode using potential cycling. The electrode modified by poly-9,10-phenanthrenequinone (poly-PQ) was studied by means of cyclic voltammetry, electrochemical impedance spectroscopy, atomic force microscopy and scanning electron microscopy. The poly-PQ shows variations in growth pattern depending on the number of potential cycles for the initiation of polymerization. Formed poly-PQ layer demonstrates good electric conductivity, great electrochemical capacitance and unique oxidation/reduction properties, which are suitable for broad technological applications, including applicability in biosensors, supercapacitors, and in some other electrochemical systems.

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

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

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

Recently published structural analysis and galvanomagnetic studies of a large number of different bulk and mesoscopic graphite samples of high quality and purity reveal that the common picture assuming graphite samples as a semimetal with a homogeneous carrier density of conduction electrons is misleading. These new studies indicate that the main electrical conduction path occurs within 2D interfaces embedded in semiconducting Bernal and/or rhombohedral stacking regions. This new knowledge incites us to revise experimentally and theoretically the diamagnetism of graphite samples. We found that the $c$-axis susceptibility of highly pure oriented graphite samples is not really constant but can vary several tens of percent for bulk samples with thickness $t \gtrsim 30~\mu$m, whereas by a much larger factor for samples with smaller thickness. The observed decrease of the susceptibility with sample thickness resembles qualitatively the one reported for the electrical conductivity and indicates that the main part of the $c-$axis diamagnetic signal is not intrinsic of the ideal graphite structure but it is due to the highly conducting 2D interfaces. The interpretation of the main diamagnetic signal of graphite agrees with the reported description of its galvanomagnetic properties and provides a hint to understand some magnetic peculiarities of thin graphite samples.

In this work, we report the magnetocaloric effect (MCE) in a quantum dot corresponding to an electron interacting with an antidot, under the effect of an Aharonov-Bohm flux subjected to a parabolic confinement potential. We use the Bogachek and Landman model, which additionally allows the study of quantum dots with Fock-Darwin energy levels for vanishing antidot radius and flux. We find that the Aharonov-Bohm flux (AB-flux) strongly controls the oscillatory behaviour of the MCE, thus acting as a control parameter for the cooling or heating of the magnetocaloric effect. We propose a way to detect AB-flux by measuring temperature differences.

The statistics of grain displacements probability distribution function (pdf) during the shear of a granular medium displays an unusual dependence with the shear increment upscaling as recently evinced [Phys. Rev. Lett.  115 238301 2015]. Basically, the pdf of grain displacements has clear nonextensive ($q$-Gaussian) features at small scales but approaches to Gaussian characteristics at large shear window scales -- the granulence effect. Here, we extend this analysis studying a larger system (more grains considered in the experimental setup) which exhibits a severe shear band fault during the macroscopic straining. We calculate the pdf of grain displacements and the dependency of the $q$-statistics with the shear increment. This analysis have shown a singular behavior of $q$ at large scales, displaying a non-monotonic dependence with the shear increment. By means of an independent image analysis, we demonstrate that this singular non-monotonicity could be associated with the emergence of a shear band within the confined system. We show that the exact point where the $q$-value inverts its tendency coincides with the emergence of a giant percolation cluster along the system, caused by the shear band. We believe that this original approach using Statistical Mechanics tools to identify shear bands can be a very useful piece to solve the complex puzzle of the rheology of dense granular systems.

Flow field based methods are becoming increasingly popular for the analysis of interfacial shear rheology data. Such methods take properly into account the subphase drag by solving the Navier-Stokes equations for the bulk phases flows, together with the Boussinesq-Scriven boundary condition at the fluid-fluid interface, and the probe equation of motion. Such methods have been successfully implemented at the double wall-ring (DWR), the magnetic rod (MR), and the bicone interfacial shear rheometers. However, a study of the errors introduced directly by the numerical processing is still lacking. Here we report on a study of the errors introduced exclusively by the numerical procedure corresponding to the bicone geometry at an air-water interface. In our study we directly input a preset the value of the complex interfacial viscosity and we numerically obtain the corresponding flow field and the complex amplitude ratio for the probe motion. Then we use the standard iterative procedure to obtain the calculated complex viscosity value. A detailed comparison of the set and calculated complex viscosity values is made upon changing different parameters such as real and imaginary parts of the complex interfacial viscosity and frequency. The observed discrepancies yield a detailed landscape of the numerically introduced errors.

The out-of-equilibrium dynamics of many body systems has recently received a burst of interest, also due to experimental implementations. The dynamics of both observables, such as magnetization and susceptibilities, and quantum information related quantities, such as concurrence and entanglement entropy, have been investigated under different protocols bringing the system out of equilibrium. In this paper we focus on the entanglement entropy dynamics under a sinusoidal drive of the tranverse magnetic field in the 1D quantum Ising model. We find that the area and the volume law of the entanglement entropy coexist under periodic drive for an initial non-critical ground state. Furthermore, starting from a critical ground state, the entanglement entropy exhibits finite size scaling even under such a periodic drive. This critical-like behaviour of the out-of-equilibrium driven state can persist for arbitrarily long time, provided that the entanglement entropy is evaluated on increasingly subsytem sizes, whereas for smaller sizes a volume law holds. Finally, we give an interpretation of the simultaneous occurrence of critical and non-critical behaviour in terms of the propagation of Floquet quasi-particles.

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

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

The apparent metal-insulator transition (MIT) in two-dimension (2D) was discovered by Kravchenko et al. [1] more than two decades ago in strongly interacting 2D electrons residing in a Si-metal-oxide-semiconductor field-effect transistor (Si-MOSFET). Its origin remains unresolved. Recently, low magnetic field reentrant insulating phases (RIPs), which dwell between the zero-field (B=0) metallic state and the integer quantum Hall (QH) states where the Landau-level filling factor υ > 1, have been observed in strongly correlated 2D GaAs hole systems with large interaction parameter rs (~20-40) and high purity. A new complex phase diagram was proposed, which includes zero field MIT, low magnetic field RIPs, integer QH states, fractional QH states, high field RIPs and insulating phases (HFIPs) with υ < 1 in which the insulating phases are explained by the formation of Wigner crystal. Furthermore, evidences of new intermediate phases were reported. All contribute to the further understandings of the puzzle. This review article serves the purpose of summarizing those recent experimental findings and theoretical endeavors, to foster future research efforts.

The isoenergetic cycle is a purely mechanical cycle comprised of adiabatic and isoenergetic processes. In the latter the system interacts with an energy bath keeping constant the expectation value of the Hamiltonian. This cycle has been mostly studied in systems consisting of particles confined in a power-law trap. In this work we study the performance of the isoenergetic cycle for a system described by the quantum Rabi model for the case of controlling the coupling strength parameter, the resonator frequency and the two-level system frequency. For the cases of controlling either the coupling strength parameter or the resonator frequency, we find that it is possible to closely approach to maximal unit efficiency when the parameter is sufficiently increased in the first adiabatic stage. In addition, for the first two cases the maximal work extracted is obtained at parameter values corresponding to high efficiency which constitutes an improvement over current proposals of this cycle.

Recently Kawashima has reported that, when wetted with alkanes, several forms of graphite and single-layer graphene exhibit superconductor-like properties above room temperature under ambient pressure [AIP Adv. 2013, 3, 052132; arXiv:1612.05294; arXiv:1801.09376]. Under the assumption that these seemingly unlikely properties arise from the presence of paired electrons brought about by the alkane-wetting, we explored their implications to arrive at a probable mechanism for strong electron-pairing driven by Fermi surface nesting and acoustic phonon. This mechanism explains why alkane-wetting is essential for the graphene systems to become “superconductor-like” above room temperature and why the “T_c” of alkane-wetted pitch-based graphite fibers increases almost linearly from ~363 to ~504 K with increasing the molecular weight of alkane from heptane to hexadecane. It also provides a number of experimentally-verifiable predictions, the confirmation of which will provide a strong support for the superconductivity driven by Fermi surface nesting and acoustic phonon.

Since crystals are made of periodic structures in space, predicting their three period vectors starting from any values based on the inside interactions is a basic theoretical physics problem. For the general situation where crystals are under constant external stress, we derived dynamical equations of the period vectors in the framework of Newtonian dynamics, for pair potentials recently (doi:/10.1139/cjp-2014-0518). The derived dynamical equations show that the period vectors are driven by the imbalance between the internal and external stresses. This presents a physical process where when the external stress changes, the crystal structure changes accordingly, since the original internal stress can not balance the external stress. The internal stress has both a full kinetic energy term and a full interaction term. It is extended to many-body interactions in this paper. As a result, all conclusions in the pair-potential case also apply for many-body potentials.

The implementation of graphene-based electronics requires fabrication processes able to cover large device areas since exfoliation method is not compatible with industrial applications. Chemical vapor deposition of large-area graphene represents a suitable solution having the important drawback of producing polycrystalline graphene with formation of grain boundaries, which are responsible for limitation of the device performance. With these motivations, we formulate a theoretical model of graphene grain boundary by generalizing the graphene Dirac Hamiltonian model. The model only includes the long-wavelength regime of the particle transport, which provides the main contribution to the device conductance. Using symmetry-based arguments deduced from the current conservation law, we derive unconventional boundary conditions characterizing the grain boundary physics and analyze their implications on the transport properties of the system. Angle resolved quantities, such as the transmission probability, are studied within the scattering matrix approach. The conditions for the existence of preferential transmission directions are studied in relation with the grain boundary properties. The proposed theory provides a phenomenological model to study grain boundary physics within the scattering approach and represents per se an important enrichment of the scattering theory of graphene. Moreover, the outcomes of the theory can contribute in understanding and limiting detrimental effects of graphene grain boundaries also providing a benchmark for more elaborated techniques.

The notion of the three-phase (line) tension remains one of the most disputable notions in the surface science. A very broad range of its values has been reported. Experts even do not agree on the sign of the line tension. The polymer-chain-like model of the three-phase (triple) line enables the rough estimation of the entropic input into the value of the line tension, estimated as Γ_en≅(k_B T)/d_m ≅〖10〗^(-11) N, where d_m is the diameter of the liquid molecule. The introducing of the polymer-chain-like model of the triple line is justified by the “water string” model of the liquid state, predicting strong orientation effects for liquid molecules located in the vicinity of hydrophobic moieties. The estimated value of the entropic input into the line tension is close to experimental findings, reported by various groups.

A potassium bromide KBr material, which has been widely used as the key element in the Fourier spectrometers and as the output window of the IR-lasers, has been studied with good advantage via applying the carbon nanotubes in order to modify the potassium bromide surface. The laser oriented deposition method has been used to place the carbon nanotubes at the matrix material surface in the vertical position at the different electric field varied from 100 to 600 V×cm-1. The main idea of the improvement of the spectral properties of the potassium bromide structure is connected with the fact that the refractive index of the carbon nanotubes is substantially less than the refractive index of the studied material, and the small diameter of the carbon nanotubes allows one to embed these nano-objects in the voids of the lattice of the model matrix systems. Moreover, the mechanical characteristics and wetting features of the potassium bromide structures have been investigated under the condition mentioned above. Analytical and quantum-chemical simulations have supported the experimental results.

MnSi has played a major role since the late 1970s in developing the theory of helical magnets in non-centro symmetric materials showing Dzyaloshinsky-Moriya interaction (DMI). With a long helimagnetic pitch of 175 \AA~as compared to the lattice d-spacing of 4.55\AA, it was ideal for performing neutron studies especially as large single crystals could be grown. In these studies under the application of a field of 180 mT perpendicular to Q, a so-called A-phase in the B-T phase diagram was found and interpreted as a rotation of the alignment of the magnetic helix away from the pinning axis. After the surprising discovery of the skyrmion lattice in the A-phase in 2009 much interest arose as it could be shown that the magnetic skyrmion lattice is topologically protected. Due to the rigidity of the skyrmionic lattice it is only loosely bound to the crystal lattice and therefore only relatively small current densities can already induce a motion of this lattice. Another very interesting aspect are the excitations in the spin system of MnSi. As the helimagnetic state is characterized by a long pitch of about 175 \AA, the associated characteristic excitations form a band structure due to Umklapp scattering and can only be observed at very small q with energies below 1 meV. We have investigated the the magnons in MnSi in the whole (B,T)-phase diagram starting in the single-k helimagnetic state by applying a small magnetic field B = 100 mT. This way, the complexity of the magnon spectrum is significantly reduced allowing a detailed comparison of the data with theory resulting in a full theoretical understanding of the spin system of MnSi in all its different magnetic phases.

The residual multiparticle entropy (RMPE) of a fluid is defined as the difference, Δs, between the excess entropy per particle (relative to an ideal gas with the same temperature and density), s_ex, and the pair-correlation contribution, s₂. Thus, the RMPE represents the net contribution to s_ex due to spatial correlations involving three, four, or more particles. A heuristic “ordering” criterion identifies the vanishing of the RMPE as an underlying signature of an impending structural or thermodynamic transition of the system from a less ordered to a more spatially organized condition (freezing is a typical example). Regardless of this, the knowledge of the RMPE is important to assess the impact of non-pair multiparticle correlations on the entropy of the fluid. Recently, an accurate and simple proposal for the thermodynamic and structural properties of a hard-sphere fluid in fractional dimension 1 < d < 3 has been proposed [Santos, A.; López de Haro, M. Phys. Rev. E 2016, 93, 062126]. The aim of this work is to use this approach to evaluate the RMPE as a function of both d and the packing fraction ϕ. It is observed that, for any given dimensionality d, the RMPE takes negative values for small densities, reaches a negative minimum Δs_min at a packing fraction ϕ_min, and then rapidly increases, becoming positive beyond a certain packing fraction ϕ₀. Interestingly, while both ϕ_min and ϕ₀ monotonically decrease as dimensionality increases, the value of Δs_min exhibits a nonmonotonic behavior, reaching an absolute minimum at a fractional dimensionality d ≃ 2.38. A plot of the scaled RMPE Δs/|Δs_min| shows a quasiuniversal behavior in the region −0.14 ≲ ϕ − ϕ₀ ≲ 0.02.

We have investigated the antiferromagnetic phase transition in the frustrated and multiferroic hexagonal manganites $h$-(Y$_{0.98}$ Eu$_{0.02}$)MnO$_3$ (YEMO) and $h$-YMnO$_3$ (YMO). Elastic neutron scattering has been used to study in detail the phase transition in YMO and YEMO in zero pressure and in YMO at a hydrostatic pressure of 1.5~GPa. In zero pressure, we find the critical temperature $T_{\rm N} = 72.11(5)$~K and 71.3(1)~K and the critical exponent $\beta = 0.206(3)$ and 0.22(2), for YEMO and YMO, respectively. This is in agreement with earlier work by Roessli {\em et al.}. In applied hydrostatic pressure of 1.5~GPa, the ordering temperature increases to $T_{\rm N} = 75.2(5)$~K, in agreement with earlier reports, while $\beta$ is unchanged. Inelastic neutron scattering was used to determine the anisotropy spin wave gap at the phase transition, expected from spin wave theory to close with a critical exponent $\beta'$ identical to the one of the order parameter, $\beta' = \beta$. Our results indicate that the gap in YEMO indeed closes at $T_{\rm N}=72.4(3)$~K with $\beta' = 0.24(2)$, while the in-pressure gap in YMO closes at 75.2(5)~K with an exponent of $\beta' =0.19(3)$. In addition, the low-temperature anisotropy gap was found to have a slightly higher absolute value under pressure. The consistent values obtained for $\beta$ in the two systems support the likelihood of a new universality class for triangular, frustrated antiferromagnets.

In this work, we report the magnetocaloric effect (MCE) in two systems of non-interactive particles, the first corresponds to the Landau problem case and the second, the case of an electron in a quantum dot subjected to a parabolic confinement potential. In the first scenario, we realize that the effect is totally different from what happens when the degeneration of a single electron confined in a magnetic field is not taken into account. In particular, when the degeneracy of the system is negligible, the magnetocaloric effect cools the system, while in the other case, when the degeneracy is strong, the system heats up. For the second case, we study the competition between the characteristic frequency of the potential trap and the cyclotron frequency to find the optimal region that maximizes the ΔT of the magnetocaloric effect, and due to the strong degeneration of this problem, the results are in coherence with those obtained for the Landau problem. Finally, we consider the case of a transition from a normal MCE to an inverse one and back to normal as a function of temperature. This is due to the competition between the diamagnetic and paramagnetic response when the electron spin in the formulation is included.

Using the unique combination of atomically resolved atom probe tomography (APT) and volume averaged neutron (resonance) spin echo (NRSE and NSE) experiments, the influence of nano-scaled clusters on the spin relaxation in spin glasses was studied. For this purpose, the phase transition from the paramagnetic phase to the spin glass phase in a Fe-Cr spin glass with a composition of Fe_17.8Cr_82.2 was studied in detail by means of NRSE. The microstructure was characterised by APT measurements, which show local concentration fluctuations of Fe and Cr on a length scale of 2 to 5 nm, which lead i) to the coexistence of ferro- and anti-ferromagnetic clusters and ii) a change of the magnetic properties of the whole sample, even in the spin glass phase, where spins are supposed to be randomly frozen. We show that a generalized spin glass relaxation function, which was successfully used to describe the phase transition in diluted spin glasses, can also be used for fitting the spin dynamics in spin glasses with significant concentration fluctuations.

Star block-copolymers (SBCs) are macromolecules formed by a number of diblock copolymers anchored to a common central core, being the internal monomers solvophilic and the end monomers solvophobic. Recent studies have demonstrated that SBCs constitute a self-assembling building blocks with specific softness, functionalization, shape, and flexibility. Depending on different physical and chemical parameters the SBCs can behave as flexible patchy particles. In this paper, we study the rotational dynamics of isolated SBCs using a hybrid mesoscale simulation technique. We compare three different approaches to analyse the dynamics: the laboratory frame, the non-inertial Eckart's frame, and a geometrical approximation relating the conformation of the SBC to the velocity profile of the solvent. We find that the geometrical approach is adequate when dealing with very soft systems while in the opposite extreme, the dynamics is best explained using the laboratory frame. On the other hand, the Eckart frame is found to be very general and to reproduced well both extreme cases. We also compare the rotational frequency and the kinetic energy with the definitions of the angular momentum and inertia tensor different from recent publications.

We present the results of calculations of magnetic properties of 3 compounds from Laves phase C15 family: DyAl2, HoAl2 and ErAl2 performed with a new computation system called ATOMIC MATTERS MFA. We compare these findings with the recently published results for TbAl2, GdAl2 and SmAl2. The calculation methodology was based on the localized electron approach applied to describe the thermal evolution electronic structure of rare-earth R3+ ions over a wide temperature range and to compute magnetocaloric effect (MCE). Thermomagnetic properties were calculated based on the fine electronic structure of 4f9, 4f10 and 4f11 configurations of the Dy3+, Ho3+, Er3+ ions, respectively. Our calculations yield the magnetic moment value and direction; single-crystalline magnetization curves in zero field and external magnetic field applied in various directions of m(T, Bext); the 4f-electronic components of specific heat c4f(T, Bext); and temperature dependence of the magnetic entropy and isothermal entropy change with external magnetic field -S(T, Bext). The cubic CEF parameter values used for DyAl2 calculations are taken from earlier research of A.L. Lima, A.O. Tsokol and recalculated for universal cubic parameters (Amn) for the RAl2 series. Our studies reveal the importance of multipolar charge interactions when describing thermomagnetic properties of real 4f electronic systems and the effectiveness of an applied self-consistent molecular field in calculations for magnetic phase transition simulation.

We conducted an in-situ crystal structure analysis of ferroselite at non-ambient conditions. The aim is to provide a solid ground to further the understanding of the properties of this material in a broad range of conditions. Ferroselite, marcasite-type FeSe2, was studied under high pressures up to 46 GPa and low temperatures, down to 50 K using single-crystal microdiffraction techniques. High pressure and low temperatures were generated using a diamond anvil cell and a cryostat. We found no evidences of structural instability in the explored P-T space. The deformation of the orthorhombic lattice is slightly anisotropic. As expected, the compressibility of the Se-Se dumbbell, the longer bond in the structure, is larger than that of the Fe-Se bonds. Less obvious is the behavior of the octahedral bonds, the shorter bond is the most compressible determining a small increase in the octahedron distortion with pressure. We also achieved a robust structural analysis of ferroselite at low temperature in the diamond anvil cell. Structural changes upon temperature decrease are small but qualitatively similar to those produced by pressure.

In this article we derive a closed form expression for the symmetric logarithmic derivative of Fermionic Gaussian states. This provides a direct way of computing the quantum Fisher Information for Fermionic Gaussian states. Applications range from quantum Metrology with thermal states to non-equilibrium steady states with Fermionic many-body systems.

We study the electron spin resonance (ESR) line width for localized moments within the framework of the Kondo lattice model. An ESR signal for an impurity can only be observed if the Kondo temperature is sufficiently small. On the other hand, for the Kondo lattice, short-range ferromagnetic correlations (FM) between the localized spins are necessary to obtain an observable signal. The spin relaxation rate (line width) is inversely proportional to the static magnetic susceptibility. The FM enhance the susceptibility and hence reduce the line width. For most of the heavy fermion systems displaying an ESR signal the FM arise in the ab-plane from the strong lattice anisotropy. An ESR signal was observed in the cubic heavy fermion compound CeB₆ which has a Γ₈ ground-quartet. The orbital content of the Γ₈-quartet gives rise to an antiferro-quadrupolar ordered (AFQ) phase below 4 K. Single ions with a Γ₈ ground-multiplet are expected to display four transitions, however, only one has been observed. We address the effects of the interplay of AFQ and FM on the phase diagram and the ESR line width. While for anisotropic Ce and Yb compounds with ESR-signal it is difficult to distinguish if the resonance is due to localized spins or conducting heavy electron spins, an itinerant picture within the AFQ phase is necessary to explain the electron spin resonances for CeB₆.  The longitudinal magnetic susceptibility has a quasi-elastic central peak of line width 1/T₁ and inelastic peaks for the absorption/emission of excitation. The latter are measured via inelastic neutron scattering (INS) and provide insights into the magnetic order. We briefly summarize some of the INS results for CeB₆ in the context of the picture that emerged from the ESR experiments.

In this paper a perspective on the application of spatially- and Angle- Resolved PhotoEmission Spectroscopy (ARPES) for the study of two-dimensional (2D) materials is presented. ARPES allows the direct measurement of the electronic band structure of materials generating extremely useful insights into their electronic properties. The possibility to apply this technique to 2D materials is of paramount importance because these ultrathin layers are considered fundamental for future electronic, photonic and spintronic devices. In this review an overview of the technical aspects of spatially localized ARPES is given along with a description of the most advanced setups for laboratory and synchrotron-based equipment. This technique is sensitive to the lateral dimensions of the sample, therefore a discussion on the preparation methods of 2D material is presented. Some of the most interesting results obtained by ARPES are reported in three sections including: graphene, transition metal dichalcogenides (TMDCs) and 2D heterostructures. Graphene has played a key role in ARPES studies because it inspired the use of this technique with other 2D materials. TMDCs are presented for their peculiar transport, optical and spin properties. Finally, the section featuring heterostructures highlights a future direction for research into 2D material structures.

Geometric Akaike Information Criteria (G-AICs) for generalized noise-level dependent crystallographic symmetry classifications of two-dimensional (2D) images that are more or less periodic in either two or one dimensions as well as Akaike weights for multi-model inferences and predictions are reviewed. Such novel classifications do not refer to a single crystallographic symmetry class exclusively in a qualitative and definitive way. Instead, they are quantitative, spread over a range of crystallographic symmetry classes, and provide opportunities for inferences from all classes (within the range) simultaneously. The novel classifications are based on information theory and depend only on information that has been extracted from the images themselves by means of maximal likelihood approaches so that these classifications are objective. This is in stark contrast to the common practice whereby arbitrarily set thresholds or null hypothesis tests are employed to force crystallographic symmetry classifications into apparently definitive/exclusive states, while the geometric feature extraction results on which they depend are never definitive in the presence of generalized noise, i.e. in all real world applications. Thus, there is unnecessary subjectivity in the currently practiced ways of making crystallographic symmetry classifications, which can be overcome by the approach outlined in this review.

β-dicalcium silicate (β-Ca2SiO4, or β-C2S in cement chemistry notation) is one of the most important minerals in cement. An improvement of its hydration speed would be the key point for developing environmentally friendly cements with lower energy consumption and CO2 emissions. However, there is a lack of fundamental understanding on the water/β-C2S surface interactions. Therefore, in this work we aim to understand the water adsorption and dissociation mechanism on the β-C2S (100) surface using density functional theory (DFT) calculations. Our results indicate that thermodynamically favorable water adsorption process takes place in several surface sites, with a broad range of adsorption energies (-0.78 to -1.24 eV), depending on the particular water conformation and surface site. To clarify the key factor governing the adsorption, the electronic properties of water at the surface sites were analyzed. The partial density of states (DOS), charge analysis, and electron density difference analyses suggest a dual interaction of water with β-C2S (100) surface: a nucleophilic interaction of the water oxygen lone pair with surface calcium atoms, and an electrophilic interaction (hydrogen bond) of one water hydrogen with surface oxygen atoms, being the first one the stronger interaction. Hence, we suggest that β-C2S hydration could be enhanced by introducing chemical or structural changes that increase both the electronegative/positive character of the surface.

The influence of the film thickness and the substrate’s refractive index on the surface mode at the superstrate is an important study step that may help clearing some of the misunderstandings surrounding their propagation mechanism. A single sub-wavelength slit perforating a thin metallic film is among the simplest nanostructure capable of launching Surface Plasmon Polaritons on its surrounding surface when excited by an incident field. Here, the impact of the substrate and the film thickness on surface waves is investigated. When the thickness of the film is comparable to its skin depth, SPP waves from the substrate penetrate the film and emerge from the superstrate, creating a superposition of two SPP waves, that leads to a beat interference envelope with well defined loci which are the function of both the drive frequency and the dielectric constant of the substrate/superstrate. As the film thickness is reduced to the SPP’s penetration depth, surface waves from optically denser dielectric/metal interface would dominate, leading to volume plasmons that propagate inside the film at optical frequencies. Interference of periodic volume charge density with the incident field over the film creates charge bundles that are periodic in space and time.

We report on the fabrication and electrical characteristics of zinc-oxide (ZnO) based metal-insulator-semiconductor (MIS) type Schottky barrier diodes (SBHs). ZnO thin layer on the p-type silicon substrate was fabricated by atomic layer deposition (ALD). The structure and surface properties of the thin film were characterized by X-ray diffraction (XRD), atomic force microscope (AFM) and secondary ion mass spectrometer (SIMS). The current-voltage (I-V) characteristics of Al/ALD-grown ZnO/p-Si diodes were measured under dark at room temperature. The electrical parameters such as ideality factor (n), series resistance (R_s) and barrier height (ϕ_b) of the diodes were analyzed using standard thermionic emission (TE) theory, Norde and Cheung method. The barrier height value obtained from I-V and Cheung method was found to be 0.73 eV and 0.76 eV, respectively. The interface state density (Dit) of the diodes was determined from the I-V characteristics. The nonideal behavior of measured parameters suggested the presence of interface states. The obtained results showed that the prepared diode can be used for NIR Schottky photodetector applications.

The optical conductivity in the charge order phase is calculated in the extended Hubbard model describing an organic Dirac electron system α-(BEDT-TTF)₂I₃ using the mean field theory and the Nakano-Kubo formula. A peak structure due to interband excitation being characteristic in two-dimensional Dirac electron system is found above the charge order gap. It is shown that the peak structure originates from the Van Hove singularities of the conduction and valence bands, where those singularities are located at a saddle point between two Dirac cones in momentum space. The frequency of the peak structure exhibits drastic change in the vicinity of the charge order transition.

We report the electrical characterization and the field emission properties of CVD-grown MoS₂ bilayers deposited on SiO₂/Si substrate. Current-voltage characteristics are measured in the back-gate transistor configuration, with Ti contacts patterned by electron beam lithography. We confirm the n-type character of as-grown MoS₂ and we report normally-on field effect transistors. Local characterization of field emission is performed inside a scanning electron microscope chamber with piezo-controlled tungsten tips working as the anode and the cathode. We demonstrate that an electric field of ~200 V/μm is able to extract current from the flat part of MoS₂ bilayers, which therefore can be conveniently exploited for field emission applications even in low field-enhancement configurations. We show that a Fowler-Nordheim model, modified to account for electron confinement in 2D materials, fully describes the emission process.

The influence of the film thickness and the substrate’s refractive index on the surface mode at the superstrate is an important study step that may help clearing some of the misunderstandings surrounding their propagation mechanism. A single sub-wavelength slit perforating a thin metallic film is among the simplest nanostructure capable of launching Surface Plasmon Polaritons on its surrounding surface when excited by an incident field. Here, the impact of the substrate and the film thickness on surface waves is investigated. When the thickness of the film is comparable to its skin depth, SPP waves from the substrate penetrate the film and emerge from the superstrate, creating a superposition of two SPP waves, that leads to a beat interference envelope with well defined loci which are the function of both the drive frequency and the dielectric constant of the substrate/superstrate. As the film thickness is reduced to the SPP’s penetration depth, surface waves from optically denser dielectric/metal interface would dominate, leading to volume plasmons that propagate inside the film at optical frequencies. Interference of periodic volume charge density with the incident field over the film creates charge bundles that are periodic in space and time.

In this article we review the advances that have been made on the understanding of the high-pressure structural, vibrational, and electronic properties of wolframite-type oxides since the first works in the early 1990s. Mainly tungstates, which are the best known wolframites, but also tantalates and niobates, with an isomorphic ambient-pressure wolframite structure, have been included in this review. Apart from estimating the bulk moduli of all known wolframites; the cation-oxygen bond distances and their change with pressure have been correlated with their compressibility. The composition variations of all wolframites have been employed to understand their different structural phase transitions to post-wolframite structures as a response to high pressure. The number of Raman modes and band gap energy changes have been also analyzed in the basis of these compositional differences. The reviewed results are relevant for both fundamental science and for the development of wolframites as scintillating detectors. The possible next research venues of wolframites have also been evaluated.