Investigation on the interface characteristic between WC(001) and diamond(111) by first-principles calculation
Jibo Hu, Xiaogang Jian, Tian Yue Yang, Xinying Peng
Topics & Concepts
Mulliken population analysisDiamondCovalent bondIonic bondingChemical bondMaterials scienceAdhesionCrystallographyDensity functional theoryDensity of statesPopulationMolecular orbitalChemistryAtomic physicsMolecular physicsComputational chemistryCondensed matter physicsComposite materialMoleculePhysicsIonOrganic chemistrySociologyDemographyAdvanced materials and compositesMetal and Thin Film MechanicsDiamond and Carbon-based Materials Research