相关论文: $\textit{Ab initio}$ electron-phonon coupling theo…
We formulate and apply a theory of electron-phonon interactions for the surface state of a strong topological insulator. Phonons are modelled using an isotropic elastic continuum theory with stress-free boundary conditions and interact with…
We have studied the topological insulator Bi$_2$Te$_3$(111) by means of helium atom scattering. The average electron-phonon coupling $\lambda$ of Bi$_2$Te$_3$(111) is determined by adapting a recently developed quantum-theoretical…
We present a theoretical study of electron-phonon scattering effects in thin films made of a strong topological insulator. Phonons are modelled by isotropic elastic continuum theory with stress-free boundary conditions, and the interaction…
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…
We employ inelastic helium atom-surface scattering to measure the low energy phonon dispersion along high-symmetry directions on the surface of the topological insulator Bi$_2$Te$_3$. Results indicate that one particular low-frequency…
We have investigated the effect on phonon energy transport in mesoscopic systems and the reduction in the thermal conductance in the quantum limit due to phonon scattering by surface roughness using full 3-dimensional elasticity theory for…
We present a comparative assessment of the features of inelastic atom-surface scattering spectra that are produced by several different forms of linear and nonlinear phonon coupling to the projectile atom. Starting from a simple theoretical…
He atom scattering has been demonstrated to be a sensitive probe of the electron-phonon interaction parameter $\lambda$ at metal and metal-overlayer surfaces. Here it is shown that the theory linking $\lambda$ to the thermal attenuation of…
Recent theory has demonstrated that the value of the electron-phonon coupling strength $\lambda$ can be extracted directly from the thermal attenuation (Debye-Waller factor) of Helium atom scattering reflectivity. This theory is here…
We introduce a fully ab initio theory for inelastic scattering of any atom from any surface exciting single phonons, and apply the theory to helium scattering from Nb(100). The key aspect making our approach general is a direct…
The electron-phonon coupling in ultrafast heating systems is studied within the framework of Boltzmann transport equation (BTE) with coupled electron and phonon transport. A discrete unified gas kinetic scheme is developed to solve the BTE,…
Strong electron-electron interactions are known to significantly modify the electron-phonon coupling relative to the predictions of density functional theory, but this effect is challenging to calculate with realistic theories of strongly…
The ordered adsorbate layer Sn/Si(111) $(\sqrt 3 \times \sqrt 3)$ with coverage of one third of a monolayer is considered as a realization of strong electronic correlation in surface physics. Our theoretical analysis shows that…
Phonon properties of $\mathrm{Mo_3Sb_{7-x}Te_x}$ ($x=0,1.5, 1.7$), a potential high-temperature thermoelectric material, have been studied with inelastic neutron and x-ray scattering, and with first-principles simulations. The substitution…
We present a neutron scattering study of phonons in single crystals of (Pb$_{0.5}$Sn$_{0.5}$)$_{1-x}$In$_x$Te with $x=0$ (metallic, but nonsuperconducting) and $x=0.2$ (nonmetallic normal state, but superconducting). We map the phonon…
The nature of the Dirac quasiparticles in topological insulators calls for a direct investigation of the electron-phonon scattering at the \emph{surface}. By comparing time-resolved ARPES measurements of the TI Bi_{2}Se_{3} with different…
Ab initio downfolding describes the electronic structure of materials within a low-energy subspace, often around the Fermi level. Typically starting from mean-field calculations, this framework allows for the calculation of one- and…
The acoustic, optic, and surface polar optic phonons are the three important intrinsic and extrinsic phononic modes that increasingly populate graphene on a substrate with rising temperatures; the coupling of which with photoexcited hot…
Our objective is to study resonant tunneling of an electron in the presence of inelastic scattering by optical phonons. Using a recently developed technique, based on exact mapping of a many-body problem onto a one-body problem, we compute…
Structural phase transitions and soft phonon modes pose a longstanding challenge to computing electron-phonon (e-ph) interactions in strongly anharmonic crystals. Here we develop a first-principles approach to compute e-ph scattering and…