Ab initio study of the pressure dependence of mechanical and thermodynamic properties of GeB2O4 (B = Mg, Zn and Cd) spinel crystals
F. Zerarga, D. Allali, A. Bouhemadou, R. Khenata, B. Deghfel, Saber Sâad Essaoud, R. Ahmed, Y. Al‐Douri, S.S. Safaai, S. Bin‐Omran, S. H. Naqib
Topics & Concepts
Debye modelThermodynamicsBulk modulusIsochoric processIsobaric processHeat capacityMaterials scienceAb initioHydrostatic pressureElastic modulusAb initio quantum chemistry methodsLattice constantThermal expansionCondensed matter physicsChemistryPhysicsOpticsMoleculeDiffractionOrganic chemistryBoron and Carbon Nanomaterials ResearchThermal Expansion and Ionic ConductivityHigh-pressure geophysics and materials