• M A GHEBOULI

Articles written in Bulletin of Materials Science

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

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.

• # 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