A first-principles investigations of Lead-free<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si50.svg" display="inline" id="d1e834"><mml:msub><mml:mrow><mml:mi mathvariant="normal">SbPCa</mml:mi></mml:mrow><mml:mrow><mml:mn>3</mml:mn></mml:mrow></mml:msub></mml:math>inverse perovskite for structural, electronic and optical properties with different DFT methods
Muhammad Ibrar Ahmed, Abu Bakar, S. O., Seisembayeva Madina M., K. N. Dzhumagulova, Abdul Quader
Topics & Concepts
WIEN2kBand gapMaterials scienceLattice constantDensity functional theoryCondensed matter physicsRefractive indexElectronic band structureDielectricThermodynamicsElectronic structurePhysicsLocal-density approximationOpticsOptoelectronicsQuantum mechanicsDiffractionPerovskite Materials and ApplicationsThermal Expansion and Ionic ConductivitySolid-state spectroscopy and crystallography