First-principles investigation of TiC(001)/TiAl(100) interface: atomic structure, stability and electronic property
Zhen‐Bo Wang, Zhenwei Liu, Pei Liu, Aiqin Wang, Bo Hou, Jingpei Xie
Topics & Concepts
Materials scienceStackingCovalent bondSurface energyElectronic structureDensity functional theoryStructural stabilityChemical bondAdhesiveBond strengthWork (physics)Layer (electronics)Composite materialCrystallographyThermodynamicsComputational chemistryEngineeringStructural engineeringQuantum mechanicsPhysicsOrganic chemistryChemistryNuclear magnetic resonanceMXene and MAX Phase MaterialsIntermetallics and Advanced Alloy PropertiesAdvanced ceramic materials synthesis