First-principle calculations to investigate mechanical and acoustical properties of predicted stable halide Perovskite ABX3
Muhammad Shafiq, B. Amin, Muhammad Awais Jehangir, Aijaz Rasool Chaudhry, G Murataza
Topics & Concepts
Bulk modulusMaterials scienceShear modulusDebye modelWIEN2kAuxeticsAnisotropyThermal expansionElastic modulusGrüneisen parameterHalideWork (physics)Perovskite (structure)Condensed matter physicsThermodynamicsComposite materialPhysicsCrystallographyOpticsChemistryElectronic structureLocal-density approximationInorganic chemistryPerovskite Materials and ApplicationsThermal Expansion and Ionic ConductivitySolid-state spectroscopy and crystallography