CALCULATED SITE SUBSTITUTION IN GAMMA'-NI3AL

The site preference of 3d, 4d and 5d transition-metal ternary substitu tional additions to Ni3Al is studied by the linear muffin-tin orbitals method within the framework of the local density and multisublattice single-site coherent potential approximations in conjunction with a ph enomenological expansion of the ordering energy. The substitution beha viour of the three d-transition series is found to follow the same sim ple trend and it is shown that the calculated reversal of the site-pre ference of Co, Cu, and Pd at high temperatures leads to a modification of previous interpretations of experimental data. Copyright (C) 1996 Elsevier Science Ltd