First-principles study on the electronic structure and optical properties of orthorhombic CaTiO3 under different pressures
Xinping Guo, Yongbo Li, Wenbo Xiao, Huaming Wu
Topics & Concepts
Orthorhombic crystal systemBand gapElectronic band structureLattice constantElectronic structureValence (chemistry)ChemistryMaterials scienceDirect and indirect band gapsDensity functional theoryQuasi Fermi levelDensity of statesCondensed matter physicsAnalytical Chemistry (journal)Molecular physicsCrystal structureOpticsCrystallographyOptoelectronicsComputational chemistryPhysicsDiffractionOrganic chemistryChromatographyElectronic and Structural Properties of OxidesLuminescence Properties of Advanced MaterialsHigh-pressure geophysics and materials