First-principles calculations to investigate the physical properties of lead-free double perovskites Cs2AgXCl6 (X=P, Co, As, Cd) for optoelectronic applications
Abeer Mera, Muhammad Awais Rehman, Zia Ur Rehman
Topics & Concepts
Band gapMaterials scienceDensity functional theorySemiconductorElectronic band structureDirect and indirect band gapsElectronic structureChemical stabilityEffective mass (spring–mass system)Absorption (acoustics)Perovskite (structure)Lattice constantElectronOptoelectronicsCondensed matter physicsComputational chemistryCrystallographyThermodynamicsPhysicsDiffractionChemistryOpticsComposite materialQuantum mechanicsPerovskite Materials and ApplicationsChalcogenide Semiconductor Thin FilmsHeusler alloys: electronic and magnetic properties