First principles investigations of structural, elastic, mechanical, electronic and optical properties of triple perovskite Ba2K2Te2O9
A.K. Kushwaha, Ş. Uğur, M. Güler, E. Güler, G. Uğur
Topics & Concepts
Materials scienceBand gapDensity functional theoryRefractive indexCompressibilityCondensed matter physicsPerovskite (structure)StiffnessDielectricOptical conductivityAbsorption (acoustics)Computational chemistryThermodynamicsComposite materialChemistryCrystallographyOptoelectronicsPhysicsHeusler alloys: electronic and magnetic propertiesPerovskite Materials and ApplicationsThermal Expansion and Ionic Conductivity