Full-potential KKR calculations for point defect energies in metals, based on the generalized-gradient approximation: II. Impurity-impurity interaction energies and phase diagrams

Materials Transactions

Volumn 42, Issue 11, 2001, Pages 2216-2224

  Asato, Mitsuhiro ^a   Mizuno, Toshiya ^a   Hoshino, Toshiharu ^a   Sawada, Hideaki ^a  

^a SHIZUOKA UNIVERSITY   (Japan)

Author keywords

Density functional theory; Full potential Korringa Kohn Rostoker Green's function method; Generalized gradient approximation; Impurity impurity interaction energy; Local spin density approximation; Phase diagram; Solid solubility limit of impurities in metal

Indexed keywords

APPROXIMATION THEORY; CRYSTAL IMPURITIES; GREEN'S FUNCTION; PHASE DIAGRAMS; PROBABILITY DENSITY FUNCTION;

INTERACTION ENERGIES;

POINT DEFECTS;

EID: 0035519094     PISSN: 13459678     EISSN: None     Source Type: Journal    
DOI: 10.2320/matertrans.42.2216     Document Type: Article

References (47)

1. Disorderd alloys