Phase stability, mechanical, electronic and thermodynamic properties of the Ga3Sc compound: An ab-initio study
F. Semari, R. Boulechfar, F. Dahmane, A. Abdiche, R. Ahmed, S. H. Naqib, A. Bouhemadou, R. Khenata, X.T. Wang
Topics & Concepts
Bulk modulusTetragonal crystal systemDebye modelThermodynamicsMaterials scienceLattice constantShear modulusElectronic structureDensity functional theoryCondensed matter physicsChemistryComputational chemistryCrystal structureCrystallographyDiffractionComposite materialPhysicsOpticsIntermetallics and Advanced Alloy PropertiesBoron and Carbon Nanomaterials ResearchSemiconductor materials and interfaces