First-principles calculations of electronic and optical properties of A and B site substituted BaTiO3
Jiao Wang, Yanfei Huang, Weiling Guo, Zhi-guo Xing, Haidou Wang, Zhenlin Lu, Zhinan Zhang
Topics & Concepts
CASTEPDopingTetragonal crystal systemMaterials scienceBand gapBarium titanatePhase (matter)IonElectronic band structureOptoelectronicsCondensed matter physicsChemistryPhysicsDielectricOrganic chemistryFerroelectric and Piezoelectric MaterialsElectronic and Structural Properties of OxidesMicrowave Dielectric Ceramics Synthesis