相关论文: Electronic heat conductivity in a two-temperature …
Separating electron and phonon thermal conductivity components is imperative for understanding the principle thermal transport mechanisms in metals and highly desirable in many applications. In this work, we predict the mode-dependent…
Electrical conductance is quantized in units of $\sigma_{\rm Q}=2e^2/h$ in ballistic one-dimensional conductors. Similarly, thermal conductance at temperature $T$ is expected to be limited by the quantum of thermal conductance of one mode,…
The mechanism of heat transfer and the contribution of electron-phonon coupling to thermal conductance of a metal-semiconductor interface remains unclear in the present literature. We report ab initio simulations of a technologically…
Reliable evaluation of the lattice thermal conductivity is of importance for optimizing the figure-of-merit of thermoelectric materials. Traditionally, when deriving the phonon mediated thermal conductivity $\kappa_{ph} = \kappa -…
Electron-phonon interactions play a key role in many branches of solid-state physics. Here, our focus is on the transport properties of one-dimensional systems, and we apply efficient real-time matrix-product state methods to compute the…
Theoretical prediction of the thermal conductivity $\kappa$ of metal-like electron-ion systems would be greatly simplified if a convenient generalization of the Lorentz number $L_N$ for arbitrary temperatures ($T$) and densities were…
We present a new approach for the two-temperature molecular dynamics (MD) model for coupled simulations of electronic and phonon heat conduction in nanoscale systems. The proposed method uses a master equation to perform heat conduction of…
In a previous paper (Paper I) we developed a technique for exactly solving the linearized Boltzmann equation for the electrical and thermal transport coefficients in metals in the low-temperature limit. Here we adapt this technique to…
We present a simple and efficient approximation to the electron-phonon scattering rate suitable for high-throughput screening of candidate materials for thermoelectric devices, based on electronic transport. The method is applied to…
We compute the thermodynamic phase diagram of seventeen elemental metals with hexagonal close-packed (hcp), face-centered cubic (fcc), and body-centered cubic (bcc) crystal structures using finite-temperature density functional theory.…
The superconducting transition temperatures of high-Tc compounds based on copper, iron, ruthenium and certain organic molecules are discovered to be dependent on bond lengths, ionic valences, and Coulomb coupling between electronic bands in…
Designing and searching for a high thermal conductivity material in both bulk and nanoscale is highly demanding for electronics cooling. In this work, we studied the thermal conductivity of 2H-Germanium Carbide(2H-GeC) using first…
Topological semimetal may have substantial applications in electronics, spintronics and quantum computation. Recently, ZrTe is predicted as a new type of topological semimetal due to coexistence of Weyl fermion and massless triply…
Ultrafast laser excitation can induce fast increases of the electronic subsystem temperature. The subsequent electronic evolutions in terms of band structure and energy distribution can determine the change of several thermodynamic…
We applied Time-Resolved Two-Photon Photoemission spectroscopy to probe the electron- phonon (e-ph) coupling strength in double-wall carbon nanotubes. The e-ph energy transfer rate G(Te,Tl) from the electronic system to the lattice depends…
We present a comprehensive investigation of self-heating in gallium nitride (GaN) high-electron-mobility transistors (HEMTs) through technology computer-aided design (TCAD) simulations and phonon Monte Carlo (MC) simulations. With…
Inorganic clathrates such as Ba$_8$Ga$_{x}$Ge$_{46-x}$ and Ba$_8$Al$_{x}$Si$_{46-x}$ commonly exhibit very low thermal conductivities. A quantitative computational description of this important property has proven difficult, in part due to…
The ability to transport energy is a fundamental property of the two-dimensional Dirac fermions in graphene. Electronic thermal transport in this system is relatively unexplored and is expected to show unique fundamental properties and to…
We apply the generalized two-band model of superconductivity to calculate the electronic contribution to the specific heat, superconducting gaps and electron-boson coupling constants of the multi-band layered superconductors MgB2 and…
Finite-temperature calculations are relevant for rationalizing material properties yet they are computationally expensive because large system sizes or long simulation times are typically required. Circumventing the need for performing many…