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 …

Phonons and related crystal properties from density-functional perturbation theory

S Baroni, S De Gironcoli, A Dal Corso… - Reviews of modern Physics, 2001 - APS
This article reviews the current status of lattice-dynamical calculations in crystals, using
density-functional perturbation theory, with emphasis on the plane-wave pseudopotential …

Rh-doped MoSe 2 as a toxic gas scavenger: A first-principles study

H Cui, G Zhang, X Zhang, J Tang - Nanoscale Advances, 2019 - pubs.rsc.org
Using first-principles theory, we investigated the most stable configuration for the Rh dopant
on a MoSe2 monolayer, and the interaction of the Rh-doped MoSe2 (Rh-MoSe2) monolayer …

Thermal conductivity of aluminum scandium nitride for 5G mobile applications and beyond

Y Song, C Perez, G Esteves, JS Lundh… - … Applied Materials & …, 2021 - ACS Publications
Radio frequency (RF) microelectromechanical systems (MEMS) based on Al1–x Sc x N are
replacing AlN-based devices because of their higher achievable bandwidths, suitable for the …

Stress and its effect on optical properties of GaN epilayers grown on Si(111), 6H-SiC(0001), and c-plane sapphire

DG Zhao, SJ Xu, MH Xie, SY Tong, H Yang - Applied physics letters, 2003 - pubs.aip.org
The stress states in unintentionally doped GaN epilayers grown on Si (111), 6H-SiC (0001),
and c-plane sapphire, and their effects on optical properties of GaN films were investigated …

Catalytic growth and characterization of gallium nitride nanowires

CC Chen, CC Yeh, CH Chen, MY Yu… - Journal of the …, 2001 - ACS Publications
The preparation of high-purity and-quality gallium nitride nanowires is accomplished by a
catalytic growth using gallium and ammonium. A series of catalysts and different reaction …

Silent Raman modes in zinc oxide and related nitrides

FJ Manjón, B Mari, J Serrano, AH Romero - Journal of applied physics, 2005 - pubs.aip.org
Anomalous Raman modes have been reported in several recent papers dealing with doped-
and undoped-ZnO layers grown by different methods. Most of these anomalous Raman …

Adsorption of gas molecules on graphene-like InN monolayer: A first-principle study

X Sun, Q Yang, R Meng, C Tan, Q Liang, J Jiang… - Applied Surface …, 2017 - Elsevier
Using first-principles calculation within density functional theory (DFT), we study the gas
(CO, NH 3, H 2 S, NO 2, NO, SO 2) adsorption properties on the surface of single-layer …

GaN: From three-to two-dimensional single-layer crystal and its multilayer van der Waals solids

A Onen, D Kecik, E Durgun, S Ciraci - Physical Review B, 2016 - APS
Three-dimensional (3D) GaN is a III-V compound semiconductor with potential
optoelectronic applications. In this paper, starting from 3D GaN in wurtzite and zinc-blende …

Phonon dispersion curves in wurtzite-structure GaN determined by inelastic x-ray scattering

T Ruf, J Serrano, M Cardona, P Pavone, M Pabst… - Physical review …, 2001 - APS
We have investigated the lattice dynamics of a wurtzite GaN single crystal by inelastic x-ray
scattering. Several dispersion branches and phonons at high-symmetry points have been …