First principles study on the elastic properties and electronic structures of (Fe, Cr)3C

Computational Materials Science

Volumn 45, Issue 4, 2009, Pages 986-992

  Zhou, C T ^a,b   Xiao, B ^a,b   Feng, J ^b   Xing, J D ^a   Xie, X J ^a   Chen, Y H ^a   Zhou, R ^b  

^a XI'AN JIAOTONG UNIVERSITY   (China)

^b BEIJING UNIVERSITY OF POSTS AND TELECOMMUNICATIONS   (China)

Author keywords

Ab initio calculations; Electronic structure of bulk materials; Magnetic; Mechanical properties

Indexed keywords

AB INITIO CALCULATIONS; BULK MODULUS; CR-DOPED; DEFECT FORMATIONS; ELASTIC PROPERTIES; ELECTRONIC CALCULATIONS; FIRST-PRINCIPLES CALCULATIONS; FIRST-PRINCIPLES STUDIES; FORMATION ENTHALPIES; LOCAL MAGNETIC MOMENTS; MAGNETIC; METAL ATOMS; MILLIKEN;

CARBIDES; CHROMIUM; ELASTICITY; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; ENTHALPY; MAGNETIC MOMENTS; MATERIALS HANDLING EQUIPMENT; MECHANICAL PROPERTIES;

STRUCTURAL PROPERTIES;

EID: 67349220999     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2009.01.002     Document Type: Article

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