A Comprehensive Ab Initio Study of the Recently Synthesized Zintl Phase CsGaSb2 Structural, Dynamical Stability, Elastic and Thermodynamic Properties
Sumayah Al-Essa, Saber Sâad Essaoud, A. Bouhemadou, Mohammed Elamin Ketfi, S. Bin‐Omran, Abdullah Chik, Missoum Radjai, D. Allali, R. Khenata, Y. Al‐Douri
Topics & Concepts
Ab initioStructural stabilityMaterials sciencePhase (matter)Stability (learning theory)Chemical stabilityAb initio quantum chemistry methodsComputational chemistryThermodynamicsChemistryPhysicsMoleculeStructural engineeringComputer scienceQuantum mechanicsEngineeringMachine learningAdvanced Thermoelectric Materials and DevicesHeusler alloys: electronic and magnetic propertiesIntermetallics and Advanced Alloy Properties