Chemical bonding and pseudogap formation in D022- and L1 2-structure (V, Ti)Al3

Journal of Physics and Chemistry of Solids

Volumn 71, Issue 7, 2010, Pages 946-951

  Chen, Zhenlian ^a   Zou, Huamin ^a   Yu, Fengmei ^a   Zou, Jie ^b  

^a WUHAN UNIVERSITY   (China)

^b EASTERN ILLINOIS UNIVERSITY   (United States)

Author keywords

Ab initio calculations; Electronic structure; Intermetallic compounds

Indexed keywords

AB INITIO; AB INITIO CALCULATIONS; ALUMINIDES; CHEMICAL BONDINGS; CRYSTAL FIELD ENERGY; D ORBITALS; DENSITY OF STATE; FORMATION MECHANISM; INTERMETALLIC COMPOUNDS; ORBITAL INTERACTION; PSEUDO-GAP; TOPOLOGICAL ANALYSIS; UNIT CELLS;

BAND STRUCTURE; BOND STRENGTH (CHEMICAL); CALCULATIONS; CRYSTAL STRUCTURE; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; PRASEODYMIUM COMPOUNDS; SEMICONDUCTING INTERMETALLICS; TITANIUM COMPOUNDS; TOPOLOGY; TRANSITION METALS;

DENSITY FUNCTIONAL THEORY;

EID: 77954202857     PISSN: 00223697     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jpcs.2010.04.012     Document Type: Article

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