First-principles study of NbC/Nb interface stability and electronic structure
Nana Zhao, Xiaoyu Ma, Jia‐Min Wang, Lisheng Zhong, Haining Deng
Topics & Concepts
Covalent bondMaterials scienceDensity functional theoryNiobiumEnthalpyFermi levelCharge densityDensity of statesDiffusionElectronic structureWork (physics)Composite numberChemical bondMulliken population analysisCrystallographyCondensed matter physicsThermodynamicsComposite materialComputational chemistryChemistryMetallurgyPhysicsElectronQuantum mechanicsOrganic chemistrySuperconductivity in MgB2 and AlloysIntermetallics and Advanced Alloy PropertiesBoron and Carbon Nanomaterials Research