Evaluation of Physical Properties of A2ScCuCl6 (A = K, Rb, and Cs) Double Perovskites via DFT Framework
Ahmad Ayyaz, G. Murtaza, Ahmad Usman, N. Sfina, Ali S. Alshomrany, Sidra Younus, Saba Saleem, Urwa-tul-Aysha
Topics & Concepts
Materials scienceDensity functional theoryChemical physicsComputational chemistryChemistryPerovskite Materials and ApplicationsThermal Expansion and Ionic ConductivitySolid-state spectroscopy and crystallography