DFT study of elastic, structural, and optical properties of K2InAgZ6 (Z = Cl, Br, I) perovskites: potential for optoelectronic applications
Sohail Ahmad, Muhammad Zakria, Khalid M. Alotaibi, Tabasum Huma, Nadimullah Hakimi, Rawaid Ali, Qasimullah, Akif Safeen, Jing Feng, Syed Hatim Shah
Topics & Concepts
Materials scienceBand gapPerovskite (structure)SemiconductorDensity functional theoryAbsorbancePhoton energyOptoelectronicsOptical conductivityAbsorption (acoustics)Structural stabilityDirect and indirect band gapsElectronic band structureOpticsPhotonCondensed matter physicsComputational chemistryChemistryPhysicsCrystallographyComposite materialStructural engineeringEngineeringPerovskite Materials and ApplicationsHeusler alloys: electronic and magnetic propertiesThermal Expansion and Ionic Conductivity