Investigation of the Structural, Elastic, Electronic, and Optical Properties of Half-Heusler CaMgZ (Z = C, Si, Ge, Sn, Pb) Compounds
A. Saim, Fadila Belkharroubi, Fatima Zohra Boufadi, M. Ameri, L.F. Blaha, A. Tebboune, M.N. Belkaid, Walid Belkilali, M. Ameri, Y. Al‐Douri, A.F. Abd El-Rehim
Topics & Concepts
WIEN2kLattice constantMaterials scienceDensity functional theoryElectronic structureBand gapDirect and indirect band gapsCondensed matter physicsPlane waveSolid-state physicsStructural stabilitySemiconductorBrittlenessElectronic band structureComputational chemistryChemistryOptoelectronicsLocal-density approximationDiffractionOpticsComposite materialPhysicsStructural engineeringEngineeringHeusler alloys: electronic and magnetic propertiesMXene and MAX Phase MaterialsIntermetallics and Advanced Alloy Properties