Defect modeling and control in structurally and compositionally complex materials
Conventional computational approaches for modeling defects face difficulties when applied
to complex materials, mainly due to the vast configurational space of defects. In this …
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
Attaining control over the electrical conductivity of gallium nitride through impurity do** is
one of the foremost achievements in semiconductor science. Yet, unwanted contaminants …
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 …
gallium vacancy (VN or VGa) are reviewed. The VN‐containing defects, including the …
DASP: Defect and dopant ab-initio simulation package
In order to perform automated calculations of defect and dopant properties in
semiconductors and insulators, we developed a software package, the Defect and Dopant …
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 …
concentrations in an extended crystalline system is presented. It is assumed that the …
Trap-assisted Auger-Meitner recombination from first principles
Trap-assisted nonradiative recombination is known to limit the efficiency of optoelectronic
devices, but the conventional multiphonon emission (MPE) process fails to explain the …
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
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 …
due to their room‐temperature working conditions, high emission rate, narrow emission line …
Self-powered, broad band, and ultrafast InGaN-based photodetector
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 …
heterostructure is demonstrated. Si-doped (n+ type) InGaN epilayer was grown by plasma …
Donor and acceptor characteristics of native point defects in GaN
The semiconducting behaviour and optoelectronic response of gallium nitride is governed
by point defect processes, which, despite many years of research, remain poorly …
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 …
to understand the behavior of defects and avoid their harm. Using density-functional theory …