Insight into the physical properties of lead-free Chloroperovskites GaXCl3 (X = Be, Ca) compounds: probed by DFT
Zaryab Khan, Saima Naz Khan, Mudasser Husain, Nasir Rahman, Vineet Tirth, Muawya Elhadi, Ahmed Azzouz‐Rached, Wasi Ullah, Muhammad Uzair, Samah Al‐Qaisi, Aurangzeb Khan, Afraa Alotaibi
Topics & Concepts
Density functional theoryMaterials scienceBand gapElectronic structureGalliumDensity of statesCondensed matter physicsDirect and indirect band gapsElectronic band structureAnisotropyOptoelectronicsComputational chemistryChemistryPhysicsOpticsMetallurgyPerovskite Materials and ApplicationsChalcogenide Semiconductor Thin FilmsSolid-state spectroscopy and crystallography