Electronic structures and properties of TiAl/Ti2AlNb heterogeneous interfaces: A comprehensive first-principles study
Chengxiong Zou, Jinshan Li, Lei Zhu, Ying Zhang, Gang Yao, Bin Tang, Jun Wang, Hongchao Kou, Haifeng Song, William Yi Wang
Topics & Concepts
Materials scienceMetastabilityPhase (matter)Fermi levelFermi energyDensity functional theoryElectronic structureCondensed matter physicsElectronCrystallographyChemical physicsComputational chemistryOrganic chemistryPhysicsChemistryQuantum mechanicsIntermetallics and Advanced Alloy PropertiesMXene and MAX Phase MaterialsBoron and Carbon Nanomaterials Research