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First-principles calculations to investigate band gap of cubic BaThO3 with systematic isotropic external static pressure and its impact on structural, elastic, mechanical, anisotropic, electronic and optical properties

Muhammad Awais, I. Zeba, S.S.A. Gillani, M. Shakil‎, Muhammad Rizwan

2022Journal of Physics and Chemistry of Solids39 citationsDOI

Topics & Concepts

Materials scienceBulk modulusBand gapShear modulusCondensed matter physicsAnisotropyDirect and indirect band gapsDensity of statesOpticsComposite materialOptoelectronicsPhysicsNuclear Materials and PropertiesHeusler alloys: electronic and magnetic propertiesAdvanced Chemical Physics Studies
First-principles calculations to investigate band gap of cubic BaThO3 with systematic isotropic external static pressure and its impact on structural, elastic, mechanical, anisotropic, electronic and optical properties | Litcius