DFT study of cubic, tetragonal and trigonal structures of KGeCl3 perovskites for photovoltaic applications
Mauwa .M Namisi, Robinson Musembi, Winfred M. Mulwa, Bernard O. Aduda
Topics & Concepts
Tetragonal crystal systemDensity functional theoryBand gapPerovskite (structure)Materials scienceDirect and indirect band gapsCondensed matter physicsValence (chemistry)Electronic band structureAtomic orbitalGround stateChemistryComputational chemistryCrystallographyCrystal structureAtomic physicsPhysicsOptoelectronicsQuantum mechanicsOrganic chemistryElectronPerovskite Materials and ApplicationsThermal Expansion and Ionic ConductivitySolid-state spectroscopy and crystallography