• Properties of group III–V semiconductor: BAs

• # Fulltext

https://www.ias.ac.in/article/fulltext/boms/042/03/0112

• # Keywords

Semiconductors; ab-initio PBEsol-GGA; computational studies; mechanical and physical properties; density functional theory.

• # Abstract

The structural, electronic, mechanical, thermal and optical properties of boron arsenide (BAs) semiconductor, which belongs to group III–V, has been studied using the first-principles approach. BAs is a binary semiconductor compound, which has a space group $F-43m$ at ambient temperature. The structural and electronic properties of BAs are found to be in good agreement with the available experimental and theoretical results. Some of the mechanical properties are also in agreement with the data available. The thermal parameters such as Debye temperature, specific heat and Grüneisen parameterare analysed as functions of temperature and pressure.

• # Author Affiliations

1. School of Studies in Physics, Jiwaji University, Gwalior 474001, India

• # Bulletin of Materials Science

Volume 44, 2021
All articles
Continuous Article Publishing mode

• # Dr Shanti Swarup Bhatnagar for Science and Technology

Posted on October 12, 2020

Prof. Subi Jacob George — Jawaharlal Nehru Centre for Advanced Scientific Research, Jakkur, Bengaluru
Chemical Sciences 2020