The first principle study electronic and optical properties in BiGaO3

Authors

  • Geoffrey Tse Dapeng Yu

DOI:

https://doi.org/10.15520/ajcem.2015.vol4.iss5.38.pp56-61.

Abstract

The crystal structure of perovskite BiGaO3 was studied, using ab initio density functional theory (DFT) calculations. Using the atomic positions, a lattice structure was created, found in cubic perovskite system, with the space group of Pm3m (#221) and lattice parameter a = b = c = 3.80Ã…, while treating the exchange correlation potential with the Local Density Approximations (LDA) method. The calculations were performed to investigate, the electronic, optical, elastic, vibrational and phonon properties.

Author Biography

Geoffrey Tse Dapeng Yu

a State Key Laboratory for Mesoscopic Physics, and Electron Microscopy Laboratory, School of Physics, Peking University, Beijing, 100871, P.R. Chinab Collaborative Innovation Center of Quantum Matter, Beijing, P.R. China

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Published

2015-11-22

How to Cite

Dapeng Yu, G. T. (2015). The first principle study electronic and optical properties in BiGaO3. Asian Journal of Current Engineering and Maths, 4(5), 56–61. https://doi.org/10.15520/ajcem.2015.vol4.iss5.38.pp56-61.

Issue

Asian Journal of Current Engineering and Maths

Section

Engineering

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