Defect modeling and control in structurally and compositionally complex materials

X Zhang, J Kang, SH Wei - Nature Computational Science, 2023 - nature.com
Conventional computational approaches for modeling defects face difficulties when applied
to complex materials, mainly due to the vast configurational space of defects. In this …

A first-principles understanding of point defects and impurities in GaN

JL Lyons, D Wickramaratne… - Journal of Applied …, 2021 - pubs.aip.org
Attaining control over the electrical conductivity of gallium nitride through impurity do** is
one of the foremost achievements in semiconductor science. Yet, unwanted contaminants …

Photoluminescence from Vacancy‐Containing Defects in GaN

MA Reshchikov - physica status solidi (a), 2023 - Wiley Online Library
Photoluminescence (PL) bands in GaN associated with point defects involving nitrogen or
gallium vacancy (VN or VGa) are reviewed. The VN‐containing defects, including the …

DASP: Defect and dopant ab-initio simulation package

M Huang, Z Zheng, Z Dai, X Guo, S Wang… - Journal of …, 2022 - iopscience.iop.org
In order to perform automated calculations of defect and dopant properties in
semiconductors and insulators, we developed a software package, the Defect and Dopant …

Equilibrium point defect and charge carrier concentrations in a material determined through calculation of the self-consistent Fermi energy

J Buckeridge - Computer Physics Communications, 2019 - Elsevier
A concise procedure to determine the self-consistent Fermi energy and defect and carrier
concentrations in an extended crystalline system is presented. It is assumed that the …

Trap-assisted Auger-Meitner recombination from first principles

F Zhao, ME Turiansky, A Alkauskas… - Physical Review Letters, 2023 - APS
Trap-assisted nonradiative recombination is known to limit the efficiency of optoelectronic
devices, but the conventional multiphonon emission (MPE) process fails to explain the …

GaN as a Material Platform for Single‐Photon Emitters: Insights from Ab Initio Study

J Yuan, Y Hou, Z Yang, F Chen… - Advanced Optical …, 2023 - Wiley Online Library
GaN with atom defects is a rising material platform for single‐photon emitter (SPE) recently
due to their room‐temperature working conditions, high emission rate, narrow emission line …

Self-powered, broad band, and ultrafast InGaN-based photodetector

AM Chowdhury, G Chandan, R Pant… - … applied materials & …, 2019 - ACS Publications
A self-powered, broad band and ultrafast photodetector based on n+-InGaN/AlN/n-Si (111)
heterostructure is demonstrated. Si-doped (n+ type) InGaN epilayer was grown by plasma …

Donor and acceptor characteristics of native point defects in GaN

Z **e, Y Sui, J Buckeridge, CRA Catlow… - Journal of Physics D …, 2019 - iopscience.iop.org
The semiconducting behaviour and optoelectronic response of gallium nitride is governed
by point defect processes, which, despite many years of research, remain poorly …

Point defects in group III nitrides: A comparative first-principles study

Y Gao, D Sun, X Jiang, J Zhao - Journal of Applied Physics, 2019 - pubs.aip.org
One of the main challenges in the development of wide bandgap semiconductor devices is
to understand the behavior of defects and avoid their harm. Using density-functional theory …