Properties of group III–V semiconductor: BAs

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 -43 m at ambient temperature. The struct...

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Bibliographic Details
Published in:Bulletin of materials science 2019-06, Vol.42 (3), p.112, Article 112
Main Authors: Rastogi, Anugya, Rajpoot, Priyanka, Verma, U P
Format: Article
Language:English
Subjects:
Ambient temperature
Approximation
Arsenides
Boron
Chemistry and Materials Science
Debye temperature
Energy
Engineering
Equilibrium
First principles
Group III-V semiconductors
Gruneisen parameter
Heat conductivity
Materials Science
Mechanical properties
Optical properties
Physical properties
Thermodynamic properties
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Summary: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 -43 m 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 parameter are analysed as functions of temperature and pressure.
ISSN:0250-4707
0973-7669
DOI:10.1007/s12034-019-1758-8