Pressure effect on the physical, mechanical, and thermal properties of ternary halide perovskite AgCaCl3: a first-principles study
Ahmed Boucherdoud, S. Mesbah, T. Lantri, M. Houari, Benaouda Bestanı, Nouredine Benderdouche
Topics & Concepts
Debye modelBulk modulusMaterials scienceIsochoric processThermodynamicsDensity functional theoryBand gapWIEN2kThermal expansionShear modulusPerovskite (structure)Condensed matter physicsLocal-density approximationChemistryComputational chemistryComposite materialCrystallographyPhysicsOptoelectronicsPerovskite Materials and ApplicationsChalcogenide Semiconductor Thin FilmsSolid-state spectroscopy and crystallography