First-principles study of electronic structure for the Laves-phase compounds HfFe2 and HfV2

Journal of Alloys and Compounds

Volumn 448, Issue 1-2, 2008, Pages 53-58

  Zhang, Changwen ^a   Zhang, Zhong ^a   Wang, Shaoqing ^a   Li, Hua ^b   Dong, Jianmin ^b   Xing, Naisheng ^b   Guo, Yongquan ^c   Li, Wei ^c  

^a UNIVERSITY OF JINAN   (China)

^b SHANDONG UNIVERSITY   (China)

^c CENTRAL IRON AND STEEL RESEARCH INSTITUTE   (China)

Author keywords

Bonding; Density of states; Electronic structure; First principles; Laves phase compound

Indexed keywords

BAND STRUCTURE; BONDING; CHARGE DENSITY; COVALENT BONDS; ELECTRONIC STRUCTURE;

AB INITIO CALCULATIONS; DENSITY OF STATES; FIRST PRINCIPLES; LAVES-PHASE COMPOUND;

HAFNIUM COMPOUNDS;

EID: 35748962291     PISSN: 09258388     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jallcom.2006.11.039     Document Type: Article

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