Insight into the structural, optoelectronic, and elastic properties of AuXF3 (X = Ca, Sr) fluoroperovskites: DFT study
Aiman Jehan, Mudasser Husain, Safia Bibi, Nasir Rahman, Vineet Tirth, Ahmed Azzouz‐Rached, Muhammad Yaqoob Khan, Mohammad Nasir, Kalsoom Inayat, Aurangzeb Khan, Saima Naz Khan
Topics & Concepts
Density functional theoryMaterials scienceBand gapLattice constantAnisotropyElastic modulusBulk modulusDirect and indirect band gapsElectronic band structureElectronic structureCondensed matter physicsOptoelectronicsComputational chemistryOpticsChemistryPhysicsComposite materialDiffractionHeusler alloys: electronic and magnetic propertiesZnO doping and propertiesMXene and MAX Phase Materials