Stress-induced transformation on the cubic perovskite RbTaO3 for high-temperature applications: a DFT approach
Muhammad Riaz, Bakhat Ali, Syed Mansoor Ali, M. Ijaz Khan, M. Sana Ullah Sahar, Mubeen Shahid, Manawwer Alam
Topics & Concepts
Materials scienceBand gapDebye modelEnthalpyDirect and indirect band gapsPhononPerovskite (structure)Condensed matter physicsLattice constantGrüneisen parameterThermodynamicsThermal expansionOpticsOptoelectronicsChemistryComposite materialDiffractionCrystallographyPhysicsPerovskite Materials and ApplicationsThermal Expansion and Ionic ConductivityHeusler alloys: electronic and magnetic properties