Substitutional solution of silicon in cementite: A first-principles study

Computational Materials Science

Volumn 44, Issue 4, 2009, Pages 1319-1326

  Jang, Jae Hoon ^a   Kim, In Gee ^a   Bhadeshia, H K D H ^a,b  

^a Pohang University of Science and Technology (POSTECH)   (South Korea)

^b UNIVERSITY OF CAMBRIDGE   (United Kingdom)

Author keywords

Cementite; Fe3C; First principles study; Magnetism; Si3C; Silicon

Indexed keywords

CARBIDES; DENSITY FUNCTIONAL THEORY; ELECTRONIC STRUCTURE; LATTICE CONSTANTS; MAGNETIC MOMENTS; NONMETALS; PHASE EQUILIBRIA; PROGRAMMING THEORY; SILICON; SOLID STATE PHYSICS;

CEMENTITE; FE3C; FIRST-PRINCIPLES STUDY; MAGNETISM; SI3C;

CRYSTAL ATOMIC STRUCTURE;

EID: 58649091992     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2008.08.022     Document Type: Article

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