Related papers: Temperature dependent effective third order intera…
A novel embedded atom method (EAM) potential for the Xi-phases of Al-Pd-Mn has been determined with the force-matching method. Different combinations of analytic functions were tested for the pair and transfer part. The best results are…
By using non-equilibrium molecular dynamics simulations(NEMD), the modulation on temperature dependence of thermal conductivity of graphene phononic crystals (GPnCs) are investigated. It is found that the temperature dependence of thermal…
We investigated the structural and dynamical properties of a tetrahedrally coordinated crystalline ice from first principles based on density functional theory within the generalized gradient approximation with the projected augmented wave…
The usefulness of the three-body mechanism of $\eta$-meson production is tested by extending to high energies a recently developed two step model of the $p d \to ^3$He $\eta$ reaction by us, which was successful in reproducing the energy…
We investigate crystalline thermodynamic stable lithium silicides phases (LixSiy) with density functional theory (DFT) and a force-field method based on modified embedded atoms (MEAM) and compare our results with experimental data. This…
The behavior of finite temperature planar electrodynamics is investigated. We calculate the static as well as dynamic characteristic functions using real time formalism. The temperature and density dependence of dielectric and permeability…
Thermoelectric power (TEP) is measured in bilayer graphene for various temperatures and charge-carrier densities. At low temperatures, measured TEP well follows the semiclassical Mott formula with a hyperbolic dispersion relation. TEP for a…
We study the effect of strong electron-phonon interactions on the damping of the Higgs amplitude mode in superconductors by means of non-equilibrium dynamical mean-field simulations of the Holstein model. In contrast to the BCS dynamics, we…
Phonons, quantized vibrations of the atomic lattice, are fundamental to understanding thermal transport, structural stability, and phase behavior in crystalline solids. Despite advances in computational materials science, most predictions…
In this work we investigate temperature dependence of electronic structure of system with strong electronic correlations and strong electron-phonon interaction modeling cuprates in the frameworks of the three-band p-d-Holstein model by a…
We present a study of diffusion enhancement of underdamped Brownian particles in 1D symmetric space-periodic potential due to external symmetric time-periodic forcing with zero mean. We show that the diffusivity can be enhanced by many…
The phonon contribution to the thermal conductivity at low temperature in superconductors with line nodes is calculated assuming that scattering by both nodal quasiparticles and the sample boundaries is significant. It is determined that,…
Using harmonic and anharmonic force constants extracted from density-functional calculations within a supercell, we have developed a relatively simple but general method to compute thermodynamic and thermal properties of any crystal. First,…
Resistivity and thermoelectric power (TEP) measurements on CeFe$_2$ and two of its pseudo-binaries Ce(Fe, 5% Ir)$_2$ and Ce(Fe, 7% Ru)$_2$ between 78K and 275K are reported. The resistivity data are analysed in terms of contributions from…
We report the enhancement of the thermoelectric power (TEP) in graphene with extremely low disorder. At high temperature we observe that the TEP is substantially larger than the prediction of the Mott relation, approaching to the…
The Born effective charges of component atoms and phonon spectra of a tetrahedrally coordinated crystalline ice are calculated from the first principles method based on density functional theory within the generalized gradient approximation…
We have used ab-initio density functional theory technique to understand the phase transitions and structural changes in various high temperature/pressure phases of LiAlO2. The electronic band structure as well as phonon spectra are…
We calculate the thermomechanical properties of $\alpha$-iron, and in particular its isothermal and adiabatic elastic constants, using first-principles total-energy and lattice-dynamics calculations, minimizing the quasi-harmonic…
Optimisation of heat engines at the micro-scale has applications in biological and artificial nano-technology, and stimulates theoretical research in non-equilibrium statistical physics. Here we consider non-interacting overdamped particles…
We present a technique for measuring ion temperature using cavity-based electromagnetically induced transparency (EIT) applicable for cavity QED systems. This method enables efficient extraction of the ion's phonon occupation number…