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
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