First-principles study on the structural stability, electronic and magnetic properties of Fe2C

Computational Materials Science

Volumn 42, Issue 4, 2008, Pages 692-697

  Lv, Z Q ^a   Sun, S H ^a   Jiang, P ^a   Wang, B Z ^a   Fu, W T ^a  

^a YANSHAN UNIVERSITY   (China)

Author keywords

Electronic structure; First principles; Magnetic property; Metastable carbide; Phase stability

Indexed keywords

CARBIDES; ELECTRONIC STRUCTURE; MAGNETIC MOMENTS; MAGNETIC PROPERTIES; PHASE STABILITY;

FIRST-PRINCIPLES CALCULATIONS; METASTABLE CARBIDE; SLATER-PAULING-FRIEDEL (SPF) MODEL;

IRON COMPOUNDS;

EID: 43049172085     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2007.10.007     Document Type: Article

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