Anisotropic mechanical properties and electronic structures of transition metal carbonitrides M2CN (M = V, Ti, Ta, Nb, Hf and Zr) by first-principles calculations
Yanru Liu, Zhunli Tan, Yu Ran, Bo Gao, Min Zhang, Xinxin Zhang, Xiaoyu Chong
Topics & Concepts
Materials scienceAnisotropyBulk modulusDensity functional theoryDensity of statesMAX phasesShear modulusAmorphous metalElectronic structureCondensed matter physicsTransition metalChemical bondAlloyThermodynamicsCeramicComposite materialComputational chemistryChemistryOrganic chemistryBiochemistryPhysicsQuantum mechanicsCatalysisMXene and MAX Phase MaterialsAdvanced materials and compositesMetal and Thin Film Mechanics