The C-C pair in the vicinity of a bcc Fe bulk vacancy: Electronic structure and bonding

Physica Status Solidi (B) Basic Research

Volumn 244, Issue 2, 2007, Pages 610-618

  Simonetti, S ^a,b   Pronsato, M E ^a,b   Brizuela, G ^a,b   Juan, A ^a,b  

^a UNIVERSIDAD NACIONAL DEL SUR   (Argentina)

^b Universidad Nacional de Río Cuarto Consejo Nacional de Investigaciones Científicas y Técnicas   (Argentina)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMS; BINARY ALLOYS; CRYSTAL STRUCTURE; ELECTRONIC STRUCTURE;

BOND FORMATION; CARBON ATOMS; DFT CALCULATION; ELECTRON TRANSFER; LOCAL ENERGY MINIMA; LOCAL ENVIRONMENTS; NEAREST NEIGHBOUR; OCTAHEDRAL SITES;

IRON;

EID: 33846941212     PISSN: 03701972     EISSN: 15213951     Source Type: Journal    
DOI: 10.1002/pssb.200642410     Document Type: Article

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