First-principles study on the electronic structure, bonding, stability of Mg/6H-SiC interfaces

Yijian Dai, Pingli Mao, Zhi Wang, Feng Wang, Le Zhou, Xunming Zhu, Dan Liu

2022Journal of Physics and Chemistry of Solids17 citationsDOI

Topics & Concepts

NucleationCovalent bondMaterials scienceIonic bondingCharge densityElectronic structureMulliken population analysisSurface energyDensity functional theoryChemical physicsAdhesionCrystallographyComputational chemistryChemistryIonComposite materialOrganic chemistryQuantum mechanicsPhysicsAluminum Alloys Composites PropertiesSilicon Carbide Semiconductor TechnologiesAdvanced ceramic materials synthesis