Related papers: ElecTra Code: Full-Band Electronic Transport Prope…
We introduce a lattice dynamics package which calculates elastic, thermodynamic and thermal transport properties of crystalline materials from data on their force and potential energy as a function of atomic positions. The data can come…
Non-equilibrium electronic quantum transport is crucial for the operation of existing and envisioned electronic, optoelectronic, and spintronic devices. The ultimate goal of encompassing atomistic to mesoscopic length scales in the same…
The electrical conductivity is calculated for regular inhomogeneous two component isotropic medium in which droplets of one phase with conductivity sigma_2 are embedded in another, with conductivity sigma_1. An expression is formulated…
We report an unconventional temperature dependence of the resistivity in several strongly correlated systems approaching a localized to itinerant electronic transition from the itinerant electron side. The observed resistivity, proportioanl…
We present a general coupled electron-phonon Boltzmann transport equations (BTEs) scheme designed to capture the mutual drag of the two interacting systems. By combining density functional theory based first principles calculations of…
Electronic transport is theoretically investigated in laterally confined semiconductor superlattices using the formalism of non-equilibrium Green's functions. The transport properties are calculated for nanowire superlattices of varying…
We investigate the transport and single particle relaxation times of silicene in the presence of neutral and charged impurities. The static charge conductivity is studied using the semiclassical Boltzmann formalism when the spin-orbit…
Calculations of electronic and optical properties of solids at finite temperature including electron-phonon interactions and quantum zero-point renormalization have enjoyed considerable progress during the past few years. Among the emerging…
We theoretically study transport in two-dimensional semimetals. Typically, electron and hole puddles emerge in the transport layer of these systems due to smooth fluctuations in the potential. We calculate the electric response of the…
We present a method for reconstructing the phonon relaxation time distribution $\tau_{\omega}= \tau (\omega)$ (including polarization) in a material from thermal spectroscopy data. The distinguishing feature of this approach is that it does…
We investigate the scattering of an electron by phonons in a small structure between two one-dimensional tight-binding leads. This model mimics the quantum electron transport through atomic wires or molecular junctions coupled to metallic…
We present a first-principles approach to compute the transport properties of 2D materials in an accurate and automated framework. We use density-functional perturbation theory in the appropriate bidimensional setup with open-boundary…
Electrical transport in semiconductor superlattices is studied within a fully self-consistent quantum transport model based on nonequilibrium Green functions, including phonon and impurity scattering. We compute both the drift…
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,…
The theory for electron transport in simple liquids developed by Cohen and Lekner is extended to simple liquid mixtures. The focus is on developing benchmark models for binary mixtures of hard-spheres, using the Percus-Yevick model to…
We define a `hyperconductor' to be a material whose electrical and thermal DC conductivities are infinite at zero temperature and finite at any non-zero temperature. The low-temperature behavior of a hyperconductor is controlled by a…
We investigate the electronic transport properties of semiconducting ($m$,$n$) carbon nanotubes (CNTs) on the mesoscopic length scale with arbitrarily distributed realistic defects. The study is done by performing quantum transport…
We use the quasiclassical theory of superconductivity to calculate the electronic contribution to the thermal conductivity. The theory is formulated for low temperatures when heat transport is limited by electron scattering from random…
This paper presents a modeling and optimization framework to minimize the energy consumption of a fully electric powertrain by optimizing its design and control strategies whilst explicitly accounting for the thermal behavior of the…
Electrified transportation and power systems are mutually coupled networks. In this paper, a novel framework is developed for interdependent power and transportation networks. Our approach constitutes solving an iterative least cost vehicle…