Computational Study of Structuraland Electronic Properties of Undoped SnO2 for Renewable Energy

Authors

  • K. Chaibi University of Oran1 Ahmed Ben Bella, BP1524 El M’nouar 31000, Oran,Algeria
  • A.Arrar University of Oran1 Ahmed Ben Bella, BP1524 El M’nouar 31000, Oran,Algeria Film Device Fabrication-Characterization and Application FDFCA Research Group USTOMB, 31130, Oran, Algeria.
  • M. Benhaliliba Physics Faculty, USTOMB University BP1505, Mnaouer 31130, Oran, Algeria. Film Device Fabrication-Characterization and Application FDFCA Research Group USTOMB, 31130, Oran, Algeria.

DOI:

https://doi.org/10.58681/ajrt.20040206

Keywords:

SnO2, DFT/FP-LAPW, TB-mBJ, LDA, Renewable energy

Abstract

Throughout this research, we report on ab-initio study of structural and electronic properties of undoped SnO2 in rutile phases using the full-potential linearized-augmented-plane waves method (DFT/FP-LAPW) within the local density (LDA) and TB-mBJ (Tran–Blaha modified Becke–Johnson)correction of gap energy and total density of states. The calculated equilibrium lattice parameters are used for plotting the density of states (DOS) and band structure diagrams. The computational results, which we have found,are compared to author’s experimental and theoretical measurements.

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Published

09/22/2020

Issue

Vol. 4 No. 2 (2020): Volume 4 Issue 2

Section

Articles