Related papers: Thermophysical properties for shock compressed pol…
This paper presents results for systems formed in a solid glassy state after nanocrystallization process above the glass temperature. We analyze electric conductivity and relaxation processes after such treatment under high temperature (HT)…
We investigate optical transitions of non-interacting electron systems consisting of two symmetric energy bands touching each other at the Fermi energy (e.g. graphene at half filling). Optical conductivity is obtained using Kubo formula at…
Currently, the most common method to calculate transport properties for materials under extreme conditions is based on the phenomenological Kubo-Greenwood method. The results of an inquiry into the justification and context of that model…
The upper limit of the thermal conductivity and the mechanical strength are predicted for the polyethylene chain, by performing the {\it ab initio} calculation and applying the quantum mechanical non-equilibrium Green's function approach.…
The thermodynamic properties of the superconducting state in Sulphur under the pressure at 160 GPa were determined. It has been shown that: (i) the critical value of the Coulomb pseudopotential is equal to 0.127; (ii) the critical…
Light-element compounds hold great promise of high critical temperature superconductivity judging from the theoretical perspective. Hydrogen-rich material, benzene, is such a kind of candidate but also an organic compound. A series of…
In the paper, the thermodynamic parameters of the high-pressure superconducting state in the SiH$_4$ compound have been determined ($p=250$ GPa). By using the Eliashberg equations in the mixed representation, the critical temperature, the…
Optical properties of the weakly helimagnetic metal MnSi have been determined in the photon energy range from 2 meV to 4.5 eV using the combination of grazing incidence reflectance at 80 degrees (2 meV to 0.8 eV) and ellipsometry (0.8 to…
The ability to simulate realistically the electronic structure of superconducting materials is important to understand and predict various properties emerging in both the superconducting topological and spintronics realms. We introduce a…
The results of calculations of thermodynamic properties of aluminum under shock compression in the framework of the Thomas--Fermi model, the Thomas--Fermi model with quantum and exchange corrections and the Hartree--Fock--Slater model are…
First-principles molecular dynamics simulations having a duration of 8 ps have been used to study the static, dynamic and electronic properties of l-Ga at the temperatures 702 K and 982 K. The simulations use the density-functional…
Two dimensional hard core bosons suffer strong scattering in the high temperature resistive state at half filling. The dynamical conductivity is calculated using non perturbative tools such as continued fractions, series expansions and…
In this article, we present a description of the behaviour of shock-compressed solid materials following the Geometrical Shock Dynamics (GSD) theory. GSD has been successfully applied to various gas dynamics problems, and here we have…
Molecular simulations of polymer rely on accurate force fields to describe the inter-atomic interactions. In this work, we use first-principles density functional theory (DFT) calculations to parameterize a united-atom force field for…
We have measured the thermal conductivity of glassy glycerol between 1.5 K and 100 K, as well as the specific heat of both glassy and crystalline phases of glycerol between 0.5 K and 25 K. We discuss both low-temperature properties of this…
Experimental results for the reflection coefficient of shock-compressed dense Xenon plasmas at pressures of 1.6 - 17 GPa and temperatures around 30 000 K using a laser beam with \lambda = 1.06 10^-6 m are compared with calculations based on…
We present a detailed study of the charge transport, optical reflectivity, and thermal transport properties of n-type PbSe crystals. A strong scattering, mobility-limiting mechanism was revealed to be at play at temperatures above 500 K.…
We calculated the optical conductivity $\sigma(T,\Omega)$ of a gas of Bogoliubov quasiparticles (BQP) from their Green's function and the Kubo formula. We compare with corresponding normal state (N) and superconducting state (SC) results.…
In this work, we study the thermal energy transport properties of twin graphene, which has been introduced recently as a new two-dimensional carbon nano structure. The thermal conductivity is investigated using non-equilibrium molecular…
A temperature-dependent approach involving Green-Kubo equilibrium atomic and spin dynamics (GKEASD) is reported to assess phonon and magnon thermal transport processes accounting for phonon-magnon interactions. Using body-center cubic (BCC)…