Structural, electronic, and optical properties of Pt-based vacancy-ordered double perovskites A2PtX6 (A = K, Rb, Cs; X = Cl, Br, I) in tetragonal P4/mnc polymorph
S. Suzuki, Makoto Tsuyama
Topics & Concepts
Tetragonal crystal systemBand gapOctahedronDensity functional theoryMaterials scienceSemiconductorCrystallographyDirect and indirect band gapsVacancy defectPerovskite (structure)HalideCrystal structureChemistryInorganic chemistryComputational chemistryOptoelectronicsPerovskite Materials and ApplicationsOrganic and Molecular Conductors ResearchSolid-state spectroscopy and crystallography