Electronic structure, mechanical, optical, and thermodynamic characteristics of cubic perovskite LiMgF3 under pressure effect calculated first-principles
Nanlin Xu, Yan Chen, Shanjun Chen, Weibin Zhang, Li Song, Zaifa Shi
Topics & Concepts
Debye modelMaterials scienceBulk modulusBand gapRefractive indexAnisotropyThermodynamicsThermal expansionCondensed matter physicsPerovskite (structure)Phase transitionPhase (matter)Elastic modulusCrystal (programming language)OpticsChemistryComposite materialCrystallographyOptoelectronicsPhysicsProgramming languageComputer scienceOrganic chemistryHeusler alloys: electronic and magnetic propertiesMXene and MAX Phase MaterialsThermal Expansion and Ionic Conductivity