First principle study of structural, electronic, optical and mechanical properties of cubic fluoro-perovskites: (CdXF3, X = Y, Bi)
Nasir Rahman, Mudasser Husain, Juan Yang, Muhammad Sajjad, G. Murtaza, Mahmood Ul Haq, Anwar Habib, Syed Zulfiqar, Abdur Rauf, Abdul Karim, Muhammad Nisar, Muhammad Yaqoob, Aurangzeb Khan
Topics & Concepts
Bulk modulusShear modulusMaterials scienceLattice constantOptical conductivityBand gapCondensed matter physicsDensity of statesDensity functional theoryElectronic band structureRefractive indexChemistryOpticsDiffractionComposite materialComputational chemistryPhysicsOptoelectronicsHeusler alloys: electronic and magnetic propertiesPerovskite Materials and ApplicationsThermal Expansion and Ionic Conductivity