Embedded cluster calculations of metal complex impurity defects: properties of the iron cyanide in NaCl

Journal of Physics Condensed Matter

Volumn 12, Issue 38, 2000, Pages 8257-8266

  Sushko, Peter V ^a,b   Shluger, Alexander L ^b   Baetzold, Roger C ^c   Catlow, C Richard A ^a  

^a DAVY FARADAY RESEARCH LABORATORY   (United Kingdom)

^b UNIVERSITY COLLEGE LONDON   (United Kingdom)

^c EASTMAN KODAK COMPANY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CRYSTAL LATTICES; DEFECTS; ELECTRONS; MOLECULAR ORIENTATION; NUMERICAL METHODS; QUANTUM THEORY; SODIUM CHLORIDE;

ELECTRON AFFINITY; EMBEDDED CLUSTER METHOD; IRON CYANIDE; LIGAND ORIENTATION; METAL COMPLEX IMPURITY DEFECTS; MOTT-LITTLETON CALCULATIONS;

IRON COMPOUNDS;

EID: 0034271190     PISSN: 09538984     EISSN: None     Source Type: Journal    
DOI: 10.1088/0953-8984/12/38/303     Document Type: Article

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