Recent development in 2D materials beyond graphene
Discovery of graphene and its astonishing properties have given birth to a new class of
materials known as “2D materials”. Motivated by the success of graphene, alternative …
materials known as “2D materials”. Motivated by the success of graphene, alternative …
Review of the mechanisms for the phonon bottleneck effect in III–V semiconductors and their application for efficient hot carrier solar cells
Y Zhang, G Conibeer, S Liu, J Zhang… - Progress in …, 2022 - Wiley Online Library
The hot carrier solar cell aims to significantly boost the power conversion efficiency through
fully utilizing the carrier thermalization energy loss. To realize such ultraefficient solar cells, it …
fully utilizing the carrier thermalization energy loss. To realize such ultraefficient solar cells, it …
Tunable electronic and optical properties of new two-dimensional GaN/BAs van der Waals heterostructures with the potential for photovoltaic applications
First-principle calculations have been executed to examine the optical and electronic
properties of two-dimensional GaN/BAs heterostructures with three possible stacking orders …
properties of two-dimensional GaN/BAs heterostructures with three possible stacking orders …
First-principles study of the structural and electronic properties of III-phosphides
We use density functional theory and different forms of the exchange-correlation
approximation to calculate the structural and electronic properties of tetrahedrally …
approximation to calculate the structural and electronic properties of tetrahedrally …
The first-principles study on physical properties and phase stability of Boron-V (BN, BP, BAs, BSb and BBi) compounds
M Ustundag, M Aslan, BG Yalcin - Computational Materials Science, 2014 - Elsevier
The physical properties of Boron–group V compounds have been investigated
systematically by using density functional theory, based on the full-potential linearized …
systematically by using density functional theory, based on the full-potential linearized …
Electronic band structure and optical properties of boron arsenide
J Buckeridge, DO Scanlon - Physical Review Materials, 2019 - APS
We compute the electronic band structure and optical properties of boron arsenide using the
relativistic quasiparticle self-consistent GW approach, including electron-hole interactions …
relativistic quasiparticle self-consistent GW approach, including electron-hole interactions …
First-principles study of point defects in GaAs/AlAs superlattice: the phase stability and the effects on the band structure and carrier mobility
Advanced semiconductor superlattices play important roles in critical future high-tech
applications such as aerospace, high-energy physics, gravitational wave detection …
applications such as aerospace, high-energy physics, gravitational wave detection …
Non-local exchange correlation functionals impact on the structural, electronic and optical properties of III–V arsenides
Exchange correlation (XC) energy functionals play a vital role in the efficiency of density
functional theory (DFT) calculations, more soundly in the calculation of fundamental …
functional theory (DFT) calculations, more soundly in the calculation of fundamental …
Ab initio study of the strain dependent thermodynamics of Bi doping in GaAs
The thermodynamics of Bi incorporation into bulk and epitaxial GaAs was studied using
density functional theory (DFT) and anharmonic elasticity calculations. The equilibrium …
density functional theory (DFT) and anharmonic elasticity calculations. The equilibrium …
A first-principles comparative study of exchange and correlation potentials for ZnO
Selection of a proper exchange and correlation potential for efficient treatment of excited-
state properties such as the electronic band structure is required in density functional theory …
state properties such as the electronic band structure is required in density functional theory …