Related papers: ab initio Electronic Transport Model with Explicit…
Many physical properties of metals can be understood in terms of the free electron model, as proven by the Wiedemann-Franz law. According to this model, electronic thermal conductivity ($\kappa_{el}$) can be inferred from the Boltzmann…
The present work investigates the less explored thermoelectric properties of n-type GaN semiconductors by combined both the experimental and computational tools. Seebeck coefficients of epitaxial thin films of GaN were experimentally…
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…
Nanostructured materials enable high thermal transport tunability, holding promises for thermal management and heat harvesting applications. Predicting the effect that nanostructuring has on thermal conductivity requires models, such as the…
We use the Kubo response functions to calculate the electrical and thermal conductivity and Seebeck coefficient at low temperatures and frequencies in the quantum-critical region for fermions on a lattice. The theory uses scattering of the…
Critical thermoelectric parameters including Seebeck coefficient, electrical conductivity, thermal conductivity and figure of merit ZT of one-dimensional coaxial Bi2Te3/Sb2Te3 nanocomposite were modeled by following the single carrier…
The Seebeck coefficient and electrical conductivity are two critical quantities to optimize simultaneously in designing thermoelectric materials, and they are determined by the dynamics of carrier scattering. We uncover a new regime where…
Electron-defect ($e$-d) interactions govern charge carrier dynamics at low temperature, where they limit the carrier mobility and give rise to phenomena of broad relevance in condensed matter physics. Ab initio calculations of $e$-d…
The alloys with 8/18/24 valence electron count (VEC) are promising candidates for efficient energy conversion and refrigeration applications at low as well as high temperatures. The full potential linearized augmented plane wave method as…
The present work is motivated by the development of a fast DG based deterministic solver for the extension of the BTE to a system of transport Boltzmann equations for full electronic multi-band transport with intra-band scattering…
A Drude-Boltzmann theory is used to calculate the transport properties of bilayer graphene. We find that for typical carrier densities accessible in graphene experiments, the dominant scattering mechanism is overscreened Coulomb impurities…
The Boltzmann equation for inelastic and rough hard spheres is considered as a model of a dilute granular gas. In this model, the collisions are characterized by constant coefficients of normal and tangential restitution and hence the…
The semi-classical Bloch-Boltzmann theory is at the heart of our understanding of conduction in solids, ranging from metals to semi-conductors. Physical systems that are beyond the range of applicability of this theory are thus of…
We report on a computational approach based on the self-consistent solution of the steady-state Boltzmann transport equation coupled with the Poisson equation for the study of inhomogeneous transport in deep submicron semiconductor…
Explicit energy-transport equations for the spinorial carrier transport in ferromagnetic semiconductors are calculated from a general spin energy-transport system that was derived by Ben Abdallah and El Hajj from a spinorial Boltzmann…
In this book chapter we provide the definition of "Simulating Nanoscale Heat Transport", broadly regarded as modeling heat conduction beyond Fourier's law. We primarely focus on incoherent transport, which is dominated by scattering between…
A number of normal state transport properties of cuprate superconductors are analyzed in detail using the Boltzmann equation. The momentum dependence of the electronic structure and the strong momentum anisotropy of the electronic…
Nanotransistors typically operate in far-from-equilibrium (FFE) conditions, that cannot be described neither by drift-diffusion, nor by purely ballistic models. In carbonbased nanotransistors, source and drain contacts are often…
Predicting nanoscale thermal transport in dielectrics requires models, such as the Boltzmann transport equation (BTE), that account for phonon boundary scattering in structures with complex geometries. Although the BTE has been validated…
We describe a method for numerically incorporating electron--electron scattering in quantum wells for small deviations of the distribution function from equilibrium, within the framework of the Boltzmann equation. For a given temperature…