Influence of pressure and temperature on mechanical and thermal behaviors of InAsSb and GaAsSb alloys

EB Elkenany, MSH Othman - Physica Scripta, 2021 - iopscience.iop.org
We have performed the first-principles calculations using the Density Functional Theory
(DFT) and the empirical pseudopotential method (EPM) to study the fundamental behaviors …

Improvement of the electronic, mechanical and optical properties of cubic As-doped BN alloy for energy harvesting applications

MK Hussain, HS Mohammed - Optik, 2023 - Elsevier
The electronic structure, elastic and optical properties with wide energy band gap (E g) in
mixed crystal semiconductors containing As-doped BN are reported. Density functional …

First-principles predictions of the physical properties of GaNxAs1–x: Materials for futuristic optoelectronic devices

S Gagui, S Ghemid, H Meradji, B Zaidi, BU Haq… - Pramana, 2023 - Springer
Abstract Knowledge of the physical properties of a material is crucial to realising its practical
technological applications. In this regard, a study related to phase stability, transition …

Density functional study of electronic, elastic and optical properties of GaAs1− xNx (x= 0, 0.25, 0.50, 0.75, 1) alloys

M Noorafshan - Computational Condensed Matter, 2022 - Elsevier
In this study, the structural, electronic, elastic and optical properties of GaAs, GaN and their
ternary alloys G a A s 1− x N x (x= 0.25, 0.50, 0.75) are investigated within density functional …

Aluminium doping effects on physical properties of semiconductors InSb for optoelectronic devices: a computational insight

S Gagui, S Ghemid, H Meradji, MA Javed… - Optical and Quantum …, 2024 - Springer
In this study, first-principles numerical computations for zinc-blende ternary alloys (In1−
xAlxSb) are performed concerning elastic, structural, electronic, thermal, and optical …

Study of ab initio calculations of structural, electronic and optical properties of ternary semiconductor alloys

M Noorafshan, S Heydari - Bulletin of Materials Science, 2024 - Springer
First principles calculations of the structural, electronic and optical properties of GaSb, InSb
and their ternary\({{\text {Ga}}} _ {1-x}{{\text {In}}} _ {x}{\text {Sb}}\) alloys (x= 0.25, 0.50 and …

DFT-Based Calculations of the Structural Stability, Electronic and Elastic Characteristics of BBi1-xSbx Ternary Ordered Alloys

A Boumaza, S Ghemid, H Meradji, O Nemiri… - Journal of Electronic …, 2021 - Springer
The structural, phase stability, elastic and electronic properties of Sb-doped BBi have been
systematically investigated in the zinc blende phase by means of the first-principle approach …

مقاله پژوهشی: تاثیر فشار هیدروستاتیکی بر ویژگی های اپتیکی و الکترونی گالیوم آرسناید

حیدری, سینا, نورافشان - فیزیک کاربردی ایران, 2022‎ - jap.alzahra.ac.ir
در این پژوهش تأثیر فشار هیدروستاتیکی بر ویژگی‌های اپتیکی و الکترونی ترکیب گالیوم
آرسناید مورد بررسی قرار گرفته است. محاسبات در چارچوب نظریه تابعی چگالی و با استفاده از …

First-Principles Predictions on Structural Stability, Electronic, Optical, and Thermal Properties of Semiconductors GaNxAs1-x: Materials for Futuristic Optoelectronic …

S Gagui, S Ghemid, H Meradji, B Zaidi, BU Haq… - 2021 - researchsquare.com
The knowledge of the physical properties of a material is crucial to realize its practical
technological applications. Here, a study related to phase stability, transition pressure …

The Effect of Hydrostatic Pressure on the Electronic and Optical Properties of GaAs

S Heydari, M Noorafshan - Iranian Journal of Applied Physics, 2022 - jap.alzahra.ac.ir
In this research, the effect of hydrostatic pressure on the electronic structure and optical
properties of GaAs compound has been investigated. The calculations have been done …