Structural, electronic, elastic and mechanical properties of NbC-based compounds: First-principles calculations

Dan Hong; Wei Zeng; Fusheng Liu; Bin Tang; Qi‐Jun Liu

doi:10.1016/j.physb.2019.01.036

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Structural, electronic, elastic and mechanical properties of NbC-based compounds: First-principles calculations

Dan Hong Wei Zeng Fusheng Liu Bin Tang Qi‐Jun Liu

Year: 2019 Journal: Physica B Condensed Matter Vol: 558 Pages: 100-108 Publisher: Elsevier BV

DOI: 10.1016/j.physb.2019.01.036

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Keywords:

Materials science Shear modulus Bulk modulus Mulliken population analysis Anisotropy Density functional theory Brittleness Elastic modulus Poisson's ratio Electronic structure Thermodynamics Condensed matter physics Composite material Computational chemistry Poisson distribution Physics Chemistry Optics

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Boron and Carbon Nanomaterials Research

Physical Sciences → Materials Science → Materials Chemistry

MXene and MAX Phase Materials

Physical Sciences → Materials Science → Materials Chemistry

Metal and Thin Film Mechanics

Physical Sciences → Engineering → Mechanics of Materials

Structural, electronic, elastic and mechanical properties of NbC-based compounds: First-principles calculations

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