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We have combined the Boltzmann transport equation with an {\it ab initio} approach to compute the thermoelectric coefficients of semiconductors. Electron-phonon, ionized impurity, and electron-plasmon scattering rates have been taken into…

Materials Science · Physics 2018-10-26 Z. Wang , S. Wang , S. Obukhov , N. Vast , J. Sjakste , V. Tyuterev , N. Mingo

A set of equations is derived from the Boltzmann kinetic equation describing charge transport in semiconductors. The unknowns of these equations depend on the space-time coordinates and the electron energy. The non-parabolic and parabolic…

Statistical Mechanics · Physics 2007-05-23 S. F. Liotta , A. Majorana

The purpose of this work is to incorporate numerically, in a discontinuous Galerkin (DG) solver of a Boltzmann-Poisson model for hot electron transport, an electronic conduction band whose values are obtained by the spherical averaging of…

Computational Engineering, Finance, and Science · Computer Science 2018-01-19 Jose Morales-Escalante , Irene M. Gamba , Yingda Cheng , Armando Majorana , Chi-Wang Shu , James Chelikowsky

We calculate the electronic transport properties of a system which is irradiated by a homogeneous microwave field. Within a Boltzmann equation approach, a general expression for the conductivity tensor is derived and evaluated for a quasi…

Condensed Matter · Physics 2009-10-28 Tobias Brandes

Spin transport properties at finite electric and magnetic fields are studied by using the generalized semiclassical Boltzmann equation. It is found that the spin diffusion equation for non-equilibrium spin density and spin currents involves…

Materials Science · Physics 2009-11-07 Y. Qi , S. Zhang

We probe the accuracy limit of {\it ab initio} calculations of carrier mobilities in semiconductors, within the framework of the Boltzmann transport equation. By focusing on the paradigmatic case of silicon, we show that fully predictive…

Materials Science · Physics 2018-03-28 Samuel Ponce , Elena R. Margine , Feliciano Giustino

Nonlinear charge transport in strongly coupled semiconductor superlattices is described by Wigner-Poisson kinetic equations involving one or two minibands. Electron-electron collisions are treated within the Hartree approximation whereas…

Mesoscale and Nanoscale Physics · Physics 2008-11-16 L. L. Bonilla , L. Barletti , M. Alvaro

Accurate models of carrier transport are essential for describing the electronic properties of semiconductor materials. To the best of our knowledge, the current models following the framework of the Boltzmann transport equation (BTE)…

Materials Science · Physics 2015-06-17 Alireza Faghaninia , Joel W. Ager , Cynthia S. Lo

Carrier mobility in bulk semiconductors is typically governed by electron-phonon (e-ph) scattering. In nanostructures, spatial confinement can lead to significant surface scattering, lowering mobility and breaking the spatial homogeneity…

Materials Science · Physics 2025-12-25 Zirui He , Shang-Peng Gao , Meng Chen

We show that by integrating out the electric field and incorporating proper boundary conditions, a semiclassical Boltzmann equation can describe electron transport properties, continuously from the diffusive to ballistic regimes. General…

Mesoscale and Nanoscale Physics · Physics 2016-08-25 H. Geng , W. Y. Deng , Y. J. Ren , L. Sheng , D. Y. Xing

Electron dynamics in external electric fields governs the behavior of solid-state electronic devices. First-principles calculations enable precise predictions of charge transport in low electric fields. However, studies of high-field…

Materials Science · Physics 2021-09-29 Ivan Maliyov , Jinsoo Park , Marco Bernardi

Quantum-confined semiconductor structures are the cornerstone of modern-day electronics. Spatial confinement in these structures leads to formation of discrete low-dimensional subbands. At room temperature, carriers transfer among different…

Mesoscale and Nanoscale Physics · Physics 2009-08-14 I. Knezevic , E. B. Ramayya , D. Vasileska , S. M. Goodnick

An exact analytical theory is developed for calculating the diffusion coefficient of charge carriers in strongly anisotropic disordered solids with one-dimensional hopping transport mode for any dependence of the hopping rates on space and…

Disordered Systems and Neural Networks · Physics 2012-01-10 A. V. Nenashev , F. Jansson , S. D. Baranovskii , R. Österbacka , A. V. Dvurechenskii , F. Gebhard

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…

Mesoscale and Nanoscale Physics · Physics 2009-10-31 A. Wacker , A. -P. Jauho , S. Rott , A. Markus , P. Binder , G. H. D"ohler

A fourth-order Schr\"{o}dinger equation for the description of charge transport in semiconductors in the ballistic regime is proposed with the inclusion of non-parabolic effects in the dispersion relation in order to go beyond the simple…

Mathematical Physics · Physics 2025-07-15 Giulia Elena Aliffi , Giovanni Nastasi , Vittorio Romano

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…

Statistical Mechanics · Physics 2014-09-03 Gilberto M. Kremer , Andrés Santos , Vicente Garzó

In this work we study, theoretically, electronic mobility of the silicon carbide semiconductor in the 3C phase, named 3C-SiC. 3C-SiC has shown great potential for applications in extreme conditions. Thus, the study of the electronic…

Materials Science · Physics 2023-03-17 Amanda M. D. Corrêa , Clóves Gonçalves Rodrigues

We solve a Schrodinger equation for inelastic quantum transport that retains full quantum coherence, in contrast to previous rate or Boltzmann equation approaches. The model Hamiltonian is the zero temperature 1d Holstein model for an…

Strongly Correlated Electrons · Physics 2009-10-30 Janez Bonca , S. A. Trugman

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…

Mesoscale and Nanoscale Physics · Physics 2009-09-29 D. Csontos , S. E. Ulloa

A drift-diffusion model of miniband transport in strongly coupled superlattices is derived from the single-miniband Boltzmann-Poisson transport equation with a BGK (Bhatnagar-Gross-Krook) collision term. We use a consistent Chapman-Enskog…

Materials Science · Physics 2007-05-23 L. L. Bonilla , R. Escobedo , A. Perales
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