• Prediction study of the structural, elastic, electronic, dynamic, optical and thermodynamic properties of cubic perovskite BiGaO$_3$

• # Fulltext

Permanent link:
https://www.ias.ac.in/article/fulltext/boms/045/0124

• # Keywords

BiGaO$_3$ perovskite; optical absorption; first principle; band structure.

• # Abstract

Some fundamental physical properties of BiGaO$_3$ were investigated under pressure and temperature effect using GGA and LDA. The effect of orientation on Debye temperature and sound wave velocities were estimated from elastic constants. The bulk modulus value of BiGaO$_3$ is a sign of its high hardness, because it is linked to an isotropic deformation. BiGaO$_3$ is a semiconductor and ductile material, with covalent (Ga–O) and ionic Bi-O bonding. The opticaltransitions were observed when electrons pass from the top of the valence band (O-2p) to the bottom of the conduction band (Ga-4p or Bi-6p). The thermodynamic parameters were determined in temperature and pressure ranging from 0 to 1800 K and 0 to 50 GPa.

• # Author Affiliations

1. Department of Chemistry, Faculty of Technology, University of Mohamed Boudiaf, 28000 M’sila, Algeria
2. Research Unit on Emerging Materials (RUEM), University of Setif 1, 19000 Sétif, Algeria
3. Laboratory of Studies Surfaces and Interfaces of Solids Materials, Department of Physics, Faculty of Science, University Ferhat Abbas of Setif 1, 19000 Se´tif, Algeria
4. PQSD Laboratory, Department of Physics, Faculty of Science, University Ferhat Abbas of Setif 1, 19000 Sétif, Algeria
5. Department of Physics, College of Science, Taif University, P.O. Box 11099, Taif 21944, Saudi Arabia

• # Bulletin of Materials Science

Volume 46, 2023
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

Prof. Surajit Dhara — School of Physics, University of Hyderabad, Hyderabad
Physical Sciences 2020

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