Order-disorder transformations in the heusler alloy Cd2AgAu |
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Authors: | R P McCormack D de Fontaine and J J Hoyt |
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Affiliation: | (1) Department of Materials Science and Engineering, University of California at Berkeley, 94720 Berkeley, CA;(2) Present address: Dept. of Materials Science Eng., Washington State University, 99164-2920 Pullman, WA |
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Abstract: | A sequence of order-disorder phase transformations was studied in the alloy Cd-Ag-Au at or near the Heusler alloy stoichiometry
Cd2AgAu. Total energy calculations based on an LMTO-ASA Hamiltonian were performed for a series of bcc compounds, from which
equilibrium formation enthalpies were computed. A set of effective cluster interactions were fit to these results and then
used as input to ternary cluster variation method calculations. The predictions for the B2 to Heusler alloy transition agreed
well with experiment, as did the low-temperature portion of an isoplethal section of the ternary phase diagram. Predictions
of sublattice occupations indicated a preference of Ag for the Cd sublattice in the phase with B2 symmetry. |
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