Related papers: Temperature dependent effective third order intera…
Using molecular dynamics simulations we study the thermodynamic behavior of a single-component covalent material described by the recently proposed Environment-Dependent Interatomic Potential (EDIP). The parameterization of EDIP for silicon…
We formulate a first-principle scheme for structural optimization at finite temperature ($T$) based on the self-consistent phonon (SCP) theory, which accurately takes into account the effect of strong phonon anharmonicity. The…
Considering screeening of electron scattering interactions in terms of the finite-temperature STLS theory and solving the linearized Boltzmann equation (with no appeal to a relaxation time approximation), we present a theoretical analysis…
We have investigated the phonon, elastic and thermodynamic properties of L1$_{2}$ phase Al$_{3}$Ta by density functional theory approach combining with quasi-harmonic approximation model. The results of phonon band structure shows that…
A general expression for calculating the thermal power transferring from 3-dimensional electron to any D-dimensional phonon subsystem is derived in this paper. Electron-phonon coupling in a free suspended cylindrical nanoshell is studied,…
We discuss the observable-dependence of the effective temperature $T_{eff}$, defined via the fluctuation-dissipation relation, of an out-of-equilibrium system composed by homonuclear dumbbell molecules. $T_{eff}$ is calculated by evaluating…
Thermoelectric properties of a two-level molecule attached to the metallic electrodes are analyzed using the equation of motion technique within the Green function formalism. Results show that the electrical conductance is strongly…
We introduce a temperature-dependent parameterization in the modified embedded-atom method and combine it with molecular dynamics to simulate the diverse physical properties of the \delta - and \epsilon - phases of elemental plutonium. The…
We study theoretically the effect of the effective dimensionality of the phonon gas distribution on the heat exchange between electrons and phonons in layered nanostructures. If we denote the electrons temperature by $T_e$ and the phonons…
When an ordered spin system of a given dimensionality undergoes a second order phase transition the dependence of the order parameter i.e. magnetization on temperature can be well-described by thermal excitations of elementary collective…
An effective field theory approach is developed for calculating the thermodynamic properties of a field theory at high temperature $T$ and weak coupling $g$. The effective theory is the 3-dimensional field theory obtained by dimensional…
Recently, detailed calculations of the excitonic insulator phase model adapted to the case of 1\textit{T}-TiSe$_2$ have been presented. Through the spectral function theoretical photoemission intensity maps can be generated which are in…
Temperature-dependent thermoelectric power (TEP) in semiconductor crystals and crystal structures containing an electron-vibrational centers (EVC) was investigated in this article. The TEP contain narrow pius at Debye temperatures for…
Conventional methods to calculate the thermodynamics of crystals evaluate the harmonic phonon spectra and therefore do not work in frequent and important situations where the crystal structure is unstable in the harmonic approximation, such…
We calculate the operating parameters of a transition edge sensor that is mounted on a thin dielectric membrane with the assumption that the phononic heat transport in the membrane is ballistic. Our treatment uses the correct phonon modes…
Using molecular dynamics simulation, we calculate fluctuations and response for steadily sheared hard spheres over a wide range of packing fractions $\phi$ and shear strain rates $\gamma$, using two different methods to dissipate energy. To…
We develop a three-temperature model to simulate the time dependence of electron and phonon temperatures in high-temperature superconductors displaying strong anistropic electron-phonon coupling. This model not only takes the tight-binding…
Spin qubits associated with color centers are promising platforms for various quantum technologies. However, to be deployed in robust quantum devices, the variations of their intrinsic properties with the external conditions, and in…
A theoretical study on low-temperature structural phase transitions is presented, in which both phonon-like and relaxation order-parameter dynamics are contemplated. While the first limiting case has been considered previously, the second…
Searching for ambient-pressure conventional superconductors with critical temperatures (TC) higher than 40 K is a key challenge in the field of high-temperature superconductivity, mainly due to lack of efficient and effective models to…