Related papers: Temperature-dependent phonon spectra of magnetic r…
In order to identify and quantitatively analyze the anharmonicity of phonons relevant to the anomalous thermal expansion in the Ih phase of ice, we performed neutron inelastic scattering measurements of the phonon spectrum as a function of…
Noncollinear magnetic moments in antiferromagnets (AFM) lead to a complex behavior of electrical transport, even to a decreasing resistivity due to an increasing temperature. Proper treatment of such phenomena is required for understanding…
Polarized Raman scattering spectra of the K_xCo_{2-y}Se_2 single crystals reveal the presence of two phonon modes, assigned as of the A_{1g} and B_{1g} symmetry. Absence of additional modes excludes the possibility of vacancy ordering,…
We report inelastic neutron scattering measurements of the phonon spectrum of the pressure-induced ferromagnetic superconductor UGe$_{2}$. No changes of the spectrum were found on cooling down to low temperature. The phonon contribution to…
The effect of the electron-phonon interaction on magnetization relaxation is studied within the framework of first-principles scattering theory for Fe, Co, and Ni by displacing atoms in the scattering region randomly with a thermal…
Vacancy mechanism plays a dominant role in the atomic migration when a close-packed disordered alloy undergoes ordering transition. However, the calculation of thermal vacancy formation energies (VFEs) of random solid solutions is usually…
Here, we present the phonon calculations for thermodynamic properties, thermal expansion and lattice thermal conductivity of Fe$_{2}$VAl in the temperature range of $300-800$ K and compared with existing experiment. Phonon dispersion is…
The temperature-dependent phonons are a generalization of interatomic force constants varying in T, which as found widespread use in computing the thermal transport of materials. A formal justification for using this combination to access…
An approach to compute the anharmonic peaks of the phonon dispersion curves through the ab initio calculated Hellmann-Feynman forces from a series of supercells with realistic atomic displacements of all atoms, which correspond to a given…
The anharmonic lattice dynamics of rock-salt thermoelectric compounds SnTe and PbTe are investigated with inelastic neutron scattering (INS) and first-principles calculations. The experiments show that, surprisingly, although SnTe is closer…
Self-consistent phonon (SCP) theory and its application in computing thermodynamic properties of materials are reviewed from a historical perspective. Various more recent implementations based on first-principles electronic structure…
Thermodynamical fluctuations of temperature in mirrors of gravitational wave antennae are transformed through thermal expansion coefficient into additional noise. This source of noise, which may also be interpreted as fluctuations due to…
We report interesting anomalies in the temperature dependent Raman spectra of FeSe$_{0.82}$ measured from 3K to 300K in the spectral range from 60 to 1800 cm$^{-1}$ and determine their origin using complementary first-principles density…
The spatial extent of excitons in molecular systems underpins their photophysics and utility for optoelectronic applications. Phonons are reported to lead to both exciton localization and delocalization. However, a microscopic understanding…
We study the temperature relaxation dynamics of nodal-line semimetals after a sudden excitation in the presence of acoustic and optical phonon modes. We find that the nodal line constrains the electron momenta in scattering processes and,…
Ferromagnetic \nmg has unique magnetoelastic properties. These are investigated by detailed computational studies of the phonon dispersion curves for the non-modulated cubic \Ltw and tetragonal structures. For the \Ltw\ structure, a…
We investigate the influence of static disorder and thermal excitations on excitonic energy transport in the light-harvesting apparatus of photosynthetic systems by solving the Schr\"{o}dinger equation and taking into account the coherent…
Thermal effects are well known to influence the electronic and optical properties of materials through several physical mechanisms and are the basis for various optoelectronic devices. The thermo-optic (TO) effect - the refractive index…
We study experimentally the thermal fluctuations of energy input and dissipation in a harmonic oscillator driven out of equilibrium, and search for Fluctuation Relations. We study transient evolution from the equilibrium state, together…
The thermopower and Nernst-Ettingshausen (NE) effect in degenerate semiconductors and semimetals placed in high electric and magnetic fields are calculated by taking into account the heating of both electrons and phonons as well as their…