Research Paper: Investigation and Calculation of Structural and Electronic Properties of LaGaO3 in Cubic Phase

Document Type : Research Paper

Authors

1 Associate Professor, Department of physics, Faculty of Science, Shahid Chamran University of Ahvaz, Ahvaz, Iran

2 M. Sc. Graduated, Department of physics, Faculty of Science, Shahid Chamran University of Ahvaz, Ahvaz, Iran.

Abstract

In this paper, structural properties such as structure parameters, energy band structure, the density of state, and charge density of LaGaO3 are calculated from the cubic phase. The calculations have been performed using the pseudopotential and a plane wave method in the framework of density functional theory (DFT) with generalized gradient approximation (GGA) by the Quantum Espresso package. The results are in good agreement with the results of others.

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References

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History

  • Receive Date: 04 December 2020
  • Revise Date: 07 March 2021
  • Accept Date: 24 April 2021

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