Calculated site substitution in γ′-Ni3Al

Solid State Communications

Volumn 99, Issue 11, 1996, Pages 813-817

  Ruban, A V ^a   Skriver, H L ^a  

^a TECHNICAL UNIVERSITY OF DENMARK   (Denmark)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; CALCULATIONS; CHEMICAL MODIFICATION; COBALT; COPPER; PALLADIUM; SUBSTITUTION REACTIONS;

COHERENT POTENTIAL APPROXIMATIONS; LINEAR MUFFIN TIN ORBITALS METHOD; NICKEL ALUMINIDE; SITE SUBSTITUTION;

NICKEL ALLOYS;

EID: 0030242431     PISSN: 00381098     EISSN: None     Source Type: Journal    
DOI: 10.1016/0038-1098(96)00279-7     Document Type: Article

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20. 3Al we find β = 0.6.
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23. In the CPA as applied here, one cannot include short-range order effects on the individual sublattices. However, in the case of a highly ordered alloy this is expected to be unimportant. See, for example, Krivoglaz, M.A., Sov. J. Phys. Chem. 31, 1957, 1930.
24. 6 the highest possible value for both LRO parameters is 0.94.
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