Ab initio predictions of pressure-dependent structural, elastic, and thermodynamic properties of GaMF3 (M = Ca, and Sr) halide perovskites
Abdelhak Bedjaoui, Djamel Allali, Missoum Radjai, A. Bouhemadou, Saber Sâad Essaoud, S. Bin‐Omran, R. Khenata, Y. Al‐Douri
Topics & Concepts
Debye modelPseudopotentialBulk modulusAb initioThermal expansionThermodynamicsHeat capacityElastic modulusAb initio quantum chemistry methodsChemistryHalideCondensed matter physicsCrystalliteMaterials scienceCrystallographyPhysicsMoleculeOrganic chemistryInorganic chemistryHeusler alloys: electronic and magnetic propertiesThermal Expansion and Ionic ConductivitySolid-state spectroscopy and crystallography