Band gap bowing and optical polarization switching in Al Ga N alloys
We present a detailed theoretical study of the band gap bowing of wurtzite AlGaN alloys
over the full composition range. Our theoretical framework is based on an atomistic tight …
over the full composition range. Our theoretical framework is based on an atomistic tight …
An innovative technique for electronic transport model of group-III nitrides
A Srivastava, A Saxena, PK Saxena, FK Gupta… - Scientific Reports, 2020 - nature.com
An optimized empirical pseudopotential method (EPM) in conjunction with virtual crystal
approximation (VCA) and the compositional disorder effect is used for simulation to extract …
approximation (VCA) and the compositional disorder effect is used for simulation to extract …
Study of native point defects in Al0. 5Ga0. 5N by first principles calculations
L Zhang, Y Ye, J Zhou, P Gao, Z Gan, S Liu… - Computational Materials …, 2024 - Elsevier
To explore the formation mechanism of native point defects in high Al content AlGaN film, the
first principles methods are applied to study the native point defects in Al 0.5 Ga 0.5 N. The …
first principles methods are applied to study the native point defects in Al 0.5 Ga 0.5 N. The …
Transparent field-effect transistors based on AlN-gate dielectric and IGZO-channel semiconductor
The degradation of thin-film transistors (TFTs) caused by the self-heating effect constitutes a
problem to be solved for the next generation of displays. Aluminum nitride (AlN) is a viable …
problem to be solved for the next generation of displays. Aluminum nitride (AlN) is a viable …
Spatially correlated stress-photoluminescence evolution in GaN/AlN multi-quantum wells
In the manufacture of semiconductor devices, cracking of heterostructures has been
recognized as a major obstacle for their post-growth processing. In this work, we explore …
recognized as a major obstacle for their post-growth processing. In this work, we explore …
Hybrid functional study of structural, electronic and magnetic properties of S-doped ZnO with and without neutral vacancy
The structural and electronic properties of S-doped ZnO are investigated by density
functional theory (DFT) and empirical pseudopotential method (EPM). Using the Heyd …
functional theory (DFT) and empirical pseudopotential method (EPM). Using the Heyd …
Homoepitaxial growth of non-polar AlN crystals using molecular dynamics simulations
Homoepitaxial growth of AlN on (11–20) a-plane and (1–100) m-plane under varying
deposition temperatures and aluminum to nitrogen flux ratios was carried out using …
deposition temperatures and aluminum to nitrogen flux ratios was carried out using …
Structural, electronic and elastic properties of ZnGeN2 and WZ-GaN under different hydrostatic pressures: A first-principle study
The structural, electronic and elastic properties of orthorhombic ZnGeN2 and wurtzite (WZ)-
GaN semiconductors have been studied under different pressures using first-principle …
GaN semiconductors have been studied under different pressures using first-principle …
Physical Properties Resemblance of Optical Material ZnGeN2 with GaN Under Different Higher Pressures
In this paper, the physical properties of ZnGeN2 and GaN compound semiconductors are
calculated under different pressures using the density functional theory calculations. The …
calculated under different pressures using the density functional theory calculations. The …
The infuence of compressive lattice deformations on the zone-center energy band properties of zincblende GaN and InN. Hybrid density functional results
JD Correa, ME Mora-Ramos - arXiv preprint arXiv:2108.07381, 2021 - arxiv.org
We have investigated the effects of hydrostatic pressure and compressive biaxial strain on
the $\Gamma $-point energy states of GaN and InN with zincblende crystal structure via first …
the $\Gamma $-point energy states of GaN and InN with zincblende crystal structure via first …