Electronic, magnetic and elastic properties of Mo2FeB2: First-principles calculations

Bin Wang; Ying Liu; Jinwen Ye; Jie Wang

doi:10.1016/j.commatsci.2012.12.023

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Electronic, magnetic and elastic properties of Mo2FeB2: First-principles calculations

Bin Wang Ying Liu Jinwen Ye Jie Wang

Year: 2013 Journal: Computational Materials Science Vol: 70 Pages: 133-139 Publisher: Elsevier BV

DOI: 10.1016/j.commatsci.2012.12.023

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Keywords:

Antiferromagnetism Bulk modulus Shear modulus Magnetism Condensed matter physics Ferromagnetism Materials science Density functional theory Electronic structure Structural stability Brittleness Enthalpy Thermodynamics Chemistry Computational chemistry Physics Composite material Structural engineering

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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

Advanced materials and composites

Physical Sciences → Engineering → Mechanical Engineering

Electronic, magnetic and elastic properties of Mo2FeB2: First-principles calculations

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