Stability, structure and electronic properties of γ-Fe23C6 from first-principles theory

Acta Materialia

Volumn 58, Issue 8, 2010, Pages 2968-2977

  Fang, C M ^a,b   van Huis, M A ^a,b   Sluiter, M H F ^c   Zandbergen, H W ^b  

^a MATERIALS INNOVATION INSTITUTE M2I   (Netherlands)

^b DELFT UNIVERSITY OF TECHNOLOGY   (Netherlands)

^c DELFT UNIVERSITY OF TECHNOLOGY   (Netherlands)

Author keywords

Crystal structure; First principles' calculations; Iron carbides; Stability and formation

Indexed keywords

C ATOMS; ELECTRONIC AND MAGNETIC PROPERTIES; EXPERIMENTAL DATA; FE ATOMS; FIRST-PRINCIPLES; FIRST-PRINCIPLES THEORY; FIRST-PRINCIPLES' CALCULATIONS; IRON CARBIDES; LATTICE PARAMETERS; MAGNETIC ORDERING; STEEL MANUFACTURING PROCESS; UNIT CELLS; WYCKOFF POSITIONS;

ATOMS; CARBIDES; ELECTRONIC PROPERTIES; IRON; IRON COMPOUNDS; MAGNETIC PROPERTIES;

CRYSTAL ATOMIC STRUCTURE;

EID: 77949541423     PISSN: 13596454     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.actamat.2010.01.025     Document Type: Article

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