Density functional theory study of structural, electronic and optical properties of cobalt-doped BaSnO3
S. Chahib, D. Fasquelle, G. Leroy
Topics & Concepts
Density functional theoryMaterials scienceBand gapDopantDopingLattice constantElectronic band structureWIEN2kDirect and indirect band gapsBrillouin zoneCondensed matter physicsOptoelectronicsLocal-density approximationComputational chemistryOpticsDiffractionChemistryPhysicsElectronic and Structural Properties of OxidesFerroelectric and Negative Capacitance DevicesMagnetic and transport properties of perovskites and related materials