Theoretical analysis of structural stability and allied properties of new brittle perovskites: RbTaO3 and RbNbO3
Madhu Sarwan, Siddharth Singh
Topics & Concepts
Materials scienceBulk modulusDensity functional theoryBand gapIonic bondingLattice constantDirect and indirect band gapsDensity of statesThermodynamicsElectronic band structureCharge densityCondensed matter physicsStructural stabilityComputational chemistryComposite materialIonDiffractionChemistryPhysicsQuantum mechanicsEngineeringStructural engineeringOptoelectronicsOrganic chemistryOpticsFerroelectric and Piezoelectric MaterialsPerovskite Materials and ApplicationsThermal Expansion and Ionic Conductivity