First-principles study on the mechanical, electronic and magnetic properties of Fe3C

Computational Materials Science

Volumn 44, Issue 2, 2008, Pages 690-694

  Lv, Z Q ^a   Zhang, F C ^a   Sun, S H ^a   Wang, Z H ^a   Jiang, P ^a   Zhang, W H ^a   Fu, W T ^a  

^a YANSHAN UNIVERSITY   (China)

Author keywords

Elasticity; Electronic structure; First principles; Magnetic properties; Phase stability

Indexed keywords

ATOMIC PHYSICS; ATOMS; CARBIDES; CRYSTALLOGRAPHY; ELASTIC CONSTANTS; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; LATTICE CONSTANTS; MAGNETIC MATERIALS; MAGNETIC MOMENTS; MAGNETIC PROPERTIES; MECHANICAL PROPERTIES; MECHANICAL STABILITY; PHASE STABILITY; POWDERS; SOLID STATE PHYSICS; STRUCTURAL PROPERTIES;

AVERAGE MAGNETIC MOMENTS; BULK MODULUS; C ATOMS; DENSITY MAPS; DENSITY OF STATES; FIRST-PRINCIPLES; FORMATION ENERGIES; HEXAGONAL STRUCTURES; IONIC PROPERTIES; LATTICE PARAMETERS; METALLIC CARBIDES; ORTHORHOMBIC STRUCTURES; STRUCTURAL PARAMETERS; UNIT CELLS;

IRON COMPOUNDS;

EID: 55649094451     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2008.05.006     Document Type: Article

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