Structural, mechanical and dynamical stabilities of K2NaMCl6 (M: Cr, Fe) halide perovskites along with electronic and thermal properties
Danish Abdullah, Dinesh C. Gupta
Topics & Concepts
Materials scienceMagnetic momentHalideLattice constantCondensed matter physicsStructural stabilityDensity functional theoryThermoelectric effectThermodynamicsEnthalpyElectronic structureThermal stabilityPhononComputational chemistryPhysicsChemistryInorganic chemistryDiffractionQuantum mechanicsStructural engineeringEngineeringPerovskite Materials and ApplicationsThermal Expansion and Ionic ConductivitySolid-state spectroscopy and crystallography