Structural, electronic, and optical properties of rare-earth-doped SrTiO3 perovskite: A first-principles study
E Zhou, Jean‐Marc Raulot, Hòng Xu, Hua Hao, Zhonghui Shen, Hanxing Liu
Topics & Concepts
Perovskite (structure)Density functional theoryMaterials scienceStrontium titanateDopingOctahedronStrontiumCondensed matter physicsDielectricRare earthCharge densityHybrid functionalElectronic structureFermi levelCrystallographyChemistryComputational chemistryPhysicsCrystal structureOptoelectronicsMetallurgyElectronOrganic chemistryQuantum mechanicsElectronic and Structural Properties of OxidesFerroelectric and Piezoelectric MaterialsMagnetic and transport properties of perovskites and related materials