Density functional theory studies of structural, electronic and optical properties of cubic 3d-transition metal nitrides
Bhila Oliver Mnisi, E. M. Benecha, M. M. Tibane
Topics & Concepts
ElectronegativityDensity functional theoryMaterials scienceNitrideAb initioTransition metalMetalTinElectronic structureCrystallographyComputational chemistryNanotechnologyChemistryMetallurgyOrganic chemistryCatalysisBiochemistryLayer (electronics)Metal and Thin Film MechanicsBoron and Carbon Nanomaterials ResearchMXene and MAX Phase Materials