Physical properties of novel double perovskite oxides Ba2AlXO6(X = Nb, Ta) by first-principle calculations
Qi Dai, Qi-Qi Liang, Tian‐Yu Tang, Hua-Xu Gao, ShiQuan Wu, Zhi-Qiao Chen, Yao Wang, Yan-Lin Tang, Yan-Lin Tang
Topics & Concepts
Materials sciencePerovskite (structure)First principleEngineering physicsThermodynamicsCondensed matter physicsChemical engineeringDensity functional theoryComputational chemistryPhysicsChemistryEngineeringMicrowave Dielectric Ceramics SynthesisThermal Expansion and Ionic ConductivityFerroelectric and Piezoelectric Materials