Full-potential KKR calculations for point defect energies in Al

Journal of Metastable and Nanocrystalline Materials

Volumn 24-25, Issue , 2005, Pages 237-240

  Hoshino, T ^a   Nakamura, F ^b  

^a SHIZUOKA UNIVERSITY   (Japan)

^b TOKYO INSTITUTE OF TECHNOLOGY   (Japan)

Author keywords

Density functional theory; Full potential KKR; Generalized gradient approximation; Point defect energies

Indexed keywords

AB-INITIO CALCULATIONS; DEFECT PAIRS; ELECTRON NUMBERS; FULL-POTENTIAL KKR; FUNDAMENTAL FEATURES; GENERALIZED-GRADIENT APPROXIMATION; GREEN'S FUNCTION METHODS; HOST ATOMS; KORRINGA-KOHN-ROSTOKER; NEAREST-NEIGHBOR INTERACTIONS; PERFECT CRYSTALS; POINT DEFECT ENERGIES;

ALUMINUM; CHROMIUM; DEFECT DENSITY; DEFECTS; GERMANIUM; GREEN'S FUNCTION; MANGANESE; MANGANESE COMPOUNDS; POINT DEFECTS; SCANDIUM; SODIUM; TIME VARYING SYSTEMS; TIN; WAVE FUNCTIONS; ZINC;

DENSITY FUNCTIONAL THEORY;

EID: 33646025152     PISSN: 14226375     EISSN: None     Source Type: Journal    
DOI: 10.4028/www.scientific.net/JMNM.24-25.237     Document Type: Article

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