Theoretical insight of stabilities and optoelectronic features of Ru-based Heusler alloys: Ab-initio calculations
A. Guezmir, H. Rached, Ali Bentouaf, M. Caid, N. Benkhettou, D. Rached, Mohamed Sidoumou
Topics & Concepts
PseudopotentialMaterials scienceAb initioBand gapDensity functional theoryElastic modulusCondensed matter physicsElectronic structureDirect and indirect band gapsAb initio quantum chemistry methodsElectronic band structureComputational chemistryChemistryOptoelectronicsPhysicsComposite materialMoleculeOrganic chemistryHeusler alloys: electronic and magnetic propertiesMXene and MAX Phase MaterialsBoron and Carbon Nanomaterials Research