Theoretical predictions of stability, electronic properties, elastic anisotropy, thermodynamics, and optical properties of MB2 (M = V, Nb, Zr)
Yong Cao, Tao Li, Yang Xu, Peng Wang, Junfeng Liu, Daxin Zhang, Jihao Duan, Shenggang Zhou
Topics & Concepts
Materials scienceThermodynamicsDebye modelDensity functional theoryAnisotropyHeat capacityChemical stabilityBrittlenessEnthalpyThermal expansionComputational chemistryComposite materialOpticsChemistryPhysicsMXene and MAX Phase MaterialsBoron and Carbon Nanomaterials ResearchIntermetallics and Advanced Alloy Properties