Examining computationally the structural, elastic, optical, and electronic properties of CaQCl<sub>3</sub> (Q = Li and K) chloroperovskites using DFT framework
Mudasser Husain, Nasir Rahman, Hind Albalawi, Safa Ezzine, Mongi Amami, Tahir Zaman, Altaf Ur Rehman, Mohammad Sohail, Rajwali Khan, Abid Ali Khan, Tahir, Aurangzeb Khan
Abstract
(Q = Li and K) chloroperovskites depict that these are important compounds and can be used as scintillators, and energy storage devices, and in many modern electronic gadgets.
Topics & Concepts
Materials scienceComputational chemistryPhysical chemistryChemistryPerovskite Materials and ApplicationsSolid-state spectroscopy and crystallographyAdvanced Condensed Matter Physics