Insight into the structural, elastic, and optoelectronic properties of XPaO3 (X = Cs, Rb) compounds employing density functional theory
Saima Naz Khan, Aiman Jehan, Mudasser Husain, Nourreddine Sfina, Nasir Rahman, Muawya Elhadi, Ahmed Azzouz‐Rached, Muhammad Uzair, Amin ur Rashid, Aurangzeb Khan
Topics & Concepts
Density functional theoryMaterials scienceBulk modulusElectronic structureElastic modulusNanotechnologyEngineering physicsCondensed matter physicsChemistryPhysicsComputational chemistryComposite materialZnO doping and propertiesPerovskite Materials and ApplicationsChalcogenide Semiconductor Thin Films