Electron-phonon interactions from first principles

F Giustino - Reviews of Modern Physics, 2017 - APS
This article reviews the theory of electron-phonon interactions in solids from the point of view
of ab initio calculations. While the electron-phonon interaction has been studied for almost a …

Advanced polymeric dielectrics for high energy density applications

TD Huan, S Boggs, G Teyssedre, C Laurent… - Progress in Materials …, 2016 - Elsevier
This article provides an overview of the present state-of-the-art pertaining to polymer
capacitor dielectrics appropriate for high electrostatic energy density applications. The …

Phonon-limited mobility in -type single-layer MoS from first principles

K Kaasbjerg, KS Thygesen, KW Jacobsen - Physical Review B—Condensed …, 2012 - APS
We study the phonon-limited mobility in intrinsic n-type single-layer MoS 2 for temperatures
T> 100 K. The materials properties including the electron-phonon interaction are calculated …

Intrinsic transport properties of electrons and holes in monolayer transition-metal dichalcogenides

Z **, X Li, JT Mullen, KW Kim - Physical Review B, 2014 - APS
Intrinsic electron-and hole-phonon interactions are investigated in monolayer transition-
metal dichalcogenides MX 2 (M= Mo, W; X= S, Se) based on a density functional theory …

Intrinsic electrical transport properties of monolayer silicene and MoS from first principles

X Li, JT Mullen, Z **, KM Borysenko… - Physical Review B …, 2013 - APS
The electron-phonon interaction and related transport properties are investigated in
monolayer silicene and MoS 2 by using a density functional theory calculation combined …

Controlled Do** of Vacancy-Containing Few-Layer MoS2 via Highly Stable Thiol-Based Molecular Chemisorption

DM Sim, M Kim, S Yim, MJ Choi, J Choi, S Yoo… - ACS …, 2015 - ACS Publications
MoS2 is considered a promising two-dimensional active channel material for future
nanoelectronics. However, the development of a facile, reliable, and controllable do** …

Mobility and saturation velocity in graphene on SiO2

VE Dorgan, MH Bae, E Pop - Applied Physics Letters, 2010 - pubs.aip.org
We examine mobility and saturation velocity in graphene on SiO 2 above room temperature
(300–500 K) and at high fields (∼ 1 V/μ m)⁠. Data are analyzed with practical models …

First-principles calculations of charge carrier mobility and conductivity in bulk semiconductors and two-dimensional materials

S Poncé, W Li, S Reichardt… - Reports on Progress in …, 2020 - iopscience.iop.org
One of the fundamental properties of semiconductors is their ability to support highly tunable
electric currents in the presence of electric fields or carrier concentration gradients. These …

First-principles method for electron-phonon coupling and electron mobility: Applications to two-dimensional materials

T Gunst, T Markussen, K Stokbro, M Brandbyge - Physical Review B, 2016 - APS
We present density functional theory calculations of the phonon-limited mobility in n-type
monolayer graphene, silicene, and MoS 2. The material properties, including the electron …