All-electron first-principles supercell total-energy calculation of the vacancy formation energy in aluminium

Physica B: Physics of Condensed Matter

Volumn 172, Issue 1-2, 1991, Pages 211-215

  Mehl, M J ^a   Klein, B M ^a  

^a NAVAL RESEARCH LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMS; MATHEMATICAL TECHNIQUES--APPROXIMATION THEORY;

LINEARIZED AUGMENTED PLANE-WAVE METHOD; SUPERCELL TOTAL ENERGY;

ALUMINUM AND ALLOYS;

EID: 0026173208     PISSN: 09214526     EISSN: None     Source Type: Journal    
DOI: 10.1016/0921-4526(91)90433-F     Document Type: Article

References (18)

1. Embedded-atom method: Derivation and application to impurities, surfaces, and other defects in metals
2. Inhomogeneous Electron Gas
3. Positron trapping in solid and liquid metals
4. A study of vacancy-iron interactions in quenched aluminum