First principles study of the electronic structure, mechanical and optical properties of cubic perovskite NaCaCl3 under pressure
Wei Luo, Ruijie Song, Shan Xu, Yan Chen, Shanjun Chen, Weibin Zhang, Zaifa Shi
Topics & Concepts
Materials scienceBand gapLattice constantPerovskite (structure)Crystal structureBulk modulusCubic crystal systemOptoelectronicsOpticsCrystallographyDiffractionComposite materialChemistryPhysicsPerovskite Materials and ApplicationsHeusler alloys: electronic and magnetic propertiesThermal Expansion and Ionic Conductivity