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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

2023Inorganic Chemistry Communications29 citationsDOI

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
Investigating the structural, electronic, and elastic properties of Li-based quaternary Heusler alloy semiconductors using hybrid functional – HSE06 bandgap recalculations | Litcius