Electronic, magnetic and elastic properties of ε-phases Fe 3X(X=B, C, N) from density-functional theory calculations

Journal of Magnetism and Magnetic Materials

Volumn 324, Issue 14, 2012, Pages 2271-2276

  Zhang, W H ^a   Lv, Z Q ^a   Shi, Z P ^a   Sun, S H ^a   Wang, Z H ^a   Fu, W T ^a  

^a YANSHAN UNIVERSITY   (China)

Author keywords

Crystal structure; First principle; Magnetic property; Metastable phase

Indexed keywords

AVERAGE MAGNETIC MOMENTS; BONDING NATURE; COMPLEX MIXTURE; DENSITY-FUNCTIONAL THEORY CALCULATIONS; ELASTIC PROPERTIES; FIRST PRINCIPLE; FIRST-PRINCIPLES CALCULATION; FORMATION ENERGIES; HEXAGONAL CLOSE-PACKED; METASTABLE PHASE; STRUCTURAL PARAMETER; SUB-LATTICES;

CRYSTAL STRUCTURE; MAGNETIC MOMENTS; MAGNETIC PROPERTIES; METASTABLE PHASES;

DEBYE TEMPERATURE;

EID: 84862830798     PISSN: 03048853     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jmmm.2012.02.114     Document Type: Article

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