Dopants and defects in ultra-wide bandgap semiconductors

JL Lyons, D Wickramaratne, A Janotti - Current Opinion in Solid State and …, 2024 - Elsevier
Ultra-wide bandgap semiconductors, with bandgaps greater than 3.5 eV, have immense
potential in power-switching electronic applications and ultraviolet light emitters. But 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 …

Theoretical characterization and computational discovery of ultra-wide-band-gap semiconductors with predictive atomistic calculations

E Kioupakis, S Chae, K Bushick, N Pant… - Journal of Materials …, 2021 - Springer
First-principles calculations based on density-functional theory have become an established
theoretical characterization toolkit to understand and predict the structural and functional …

Carbon complexes in highly C-doped GaN

JL Lyons, ER Glaser, ME Zvanut, S Paudel, M Iwinska… - Physical Review B, 2021 - APS
We investigate the properties of heavily C-doped GaN grown by hydride vapor phase
epitaxy using both optical experiments and hybrid density functional theory calculations …

Photoluminescence related to Ca in GaN

MA Reshchikov, DO Demchenko, M Vorobiov… - Physical Review B, 2022 - APS
The Ca Ga acceptor in GaN was studied using photoluminescence (PL) experiments and
first-principles calculations. The experimentally found–/0 transition level of the Ca Ga at …

Defects and oxygen impurities in ferroelectric wurtzite Al1− xScxN alloys

CW Lee, NU Din, GL Brennecka, P Gorai - Applied Physics Letters, 2024 - pubs.aip.org
III-nitrides and related alloys are widely used for optoelectronics and as acoustic resonators.
Ferroelectric wurtzite nitrides are of particular interest because of their potential for direct …

Antireflective GaN nanoridge texturing by metal-assisted chemical etching via a thermally dewetted Pt catalyst network for highly responsive ultraviolet photodiodes

Y Liao, YJ Kim, J Lai, JH Seo, M Kim - ACS Applied Materials & …, 2023 - ACS Publications
Antireflective (AR) surface texturing is a feasible way to boost the light absorption of
photosensitive materials and devices. As a plasma-free etching method, metal-assisted …

Tracking of point defects in the full compositional range of AlGaN via photoluminescence spectroscopy

J Hyun Kim, P Bagheri, R Kirste, P Reddy… - … status solidi (a), 2023 - Wiley Online Library
A comprehensive energy map as a function of AlGaN composition over the whole alloy
range is presented for commonly observed point defects in nominally intrinsic, n‐, and p …

To define nonradiative defects in semiconductors: An accurate DLTS simulation based on first-principle

X Xu, X Yu, J Yang, T Ying, X Cui, Y **g, G Lv… - Computational Materials …, 2022 - Elsevier
Deep level transient spectroscopy (DLTS) is a crucial technique to characterize the defects
in semiconductor devices. Within the framework of the state-of-the-art density functional …

Koopmans-tuned Heyd-Scuseria-Ernzerhof hybrid functional calculations of acceptors in GaN

DO Demchenko, M Vorobiov, O Andrieiev… - Physical Review B, 2024 - APS
The Heyd-Scuseria-Ernzerhof (HSE) hybrid functional has become a widely used tool for
theoretical calculations of point defects in semiconductors. It generally offers a satisfactory …