相关论文: Transport and Phonon Damping in $^{\bf 4}$He

The temperature-dependent effective potential (TDEP) method for anharmonic phonon dispersion is generalized to the full potential case by combining with path integral formalism. This extension naturally resolves the intrinsic difficulty in…

Electron-phonon (E-p) coupling incorporated density functional theory (DFT) based investigation of structural, electronic and vibrational properties of bulk MgSe and MgTe is presented. Electron-phonon coupling is incorporated to understand…

The ab initio computational method known as Hubbard-corrected density functional theory (DFT+$U$) captures well ground electronic structures of a set of solids that are poorly described by standard DFT alone. Since lattice dynamical…

Electronic transport in low-dimensional structures, such as thin bodies, nanosheets, nanoribbons and nanowires, is strongly affected by electron and phonon confinement, in addition to interface roughness. Here we use a quantum-transport…

Optical conductivity in molecular semiconductors is suppressed in the terahertz region, featuring the displaced Drude peak that reflects carriers' transient localization (TL) by slow intermolecular vibrations. Meanwhile, recent computations…

There is great interest in the development of novel nanomachines that use charge, spin, or energy transport, to enable new sensors with unprecedented measurement capabilities. Electrical and thermal transport in these mesoscopic systems…

Numerical and analytic results have been used to characterize quantum transport in spin chains, showing the existence of both ballistic and diffusive motion. Experiments have shown that heat transfer is surprisingly always diffusive. The…

We compute the transient dynamics of phonons in contact with high energy "hot" charge carriers in 12 polar and non-polar semiconductors, using a first-principles Boltzmann transport framework. For most materials, we find that the decay in…

In this work we perform an ab-initio study of an ideal two-dimensional sample of 4He atoms, a model for 4He films adsorbed on several kinds of substrates. Starting from a realistic hamiltonian we face the microscopic study of the excitation…

This work, presents a study of lifetime of carriers due to intrinsic scattering mechanisms $viz.$ electron-electron (EEI), electron-phonon (EPI) and phonon-phonon interactions (PPI) in a promising half-Heusler thermoelectric FeVSb. Using…

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 Dirac dispersion of graphene limits the phase space available for energy transport between electrons and acoustic phonons at temperatures above the Bloch-Grueneisen temperature. Consequently, energy transport can be dominated by…

Recent ARPES experiments in cuprates superconductors show a kink in the electron dispersion near the Fermi energy. This kink coexists with a linear frequency dependence of the imaginary part of the electron self-energy. In this paper we…

The half-Heusler (hH) compounds are currently considered promising thermoelectric (TE) materials due to their favorable thermopower and electrical conductivity. Accurate estimates of these properties are therefore highly desirable and…

We systematically demonstrate the temperature-dependent thermal transport properties in crystalline Ge$_2$Sb$_2$Te$_5$via first-principles density functional theory-informed linearized Boltzmann transport equation. The investigation,…

A new quantum-theoretical derivation of the elastic and inelastic scattering probability of He atoms from a metal surface, where the energy and momentum exchange with the phonon gas can only occur through the mediation of the surface…

Identifying and understanding the mechanisms behind strong phonon-phonon scattering in condensed matter systems is critical to maximizing the efficiency of thermoelectric devices. To date, the leading method to address this has been to…

Dark matter (DM) scattering with nuclei in solid-state systems may produce elastic nuclear recoil at high energies and single-phonon excitation at low energies. When the dark matter momentum is comparable to the momentum spread of nuclei…

We study the dynamics of an electron weakly coupled to a phonon gas. The initial state of the electron is the superposition of two spatially localized distant bumps moving towards each other, and the phonons are in a thermal state. We…

In the quest of new thermoelectric (TE) materials with high power factors, full-Heusler compounds having flat band are found to be promising candidates. In this direction, Fe$_{2}$ScX (X=P,As,Sb) compounds are investigated using mBJ for the…