Investigating the structural, electronic, and elastic properties of Li-based quaternary Heusler alloy semiconductors using hybrid functional – HSE06 bandgap recalculations
S Hebri, Abdel-Basset Abdelli, Nassir Belfedal, Djillali Bensaid
Topics & Concepts
Hybrid functionalMaterials scienceSemiconductorBand gapDensity functional theoryCondensed matter physicsThermoelectric effectDirect and indirect band gapsPhononOptoelectronicsComputational chemistryChemistryThermodynamicsPhysicsHeusler alloys: electronic and magnetic properties2D Materials and ApplicationsMXene and MAX Phase Materials