Nonlocality and the energy of alloy formation
- 1 December 1978
- journal article
- Published by IOP Publishing in Journal of Physics F: Metal Physics
- Vol. 8 (12) , 2455-2460
- https://doi.org/10.1088/0305-4608/8/12/007
Abstract
It is demonstrated that, in order to account for alloy formation, nonlocal terms are needed in the energy density functional. A practical method to compute the heat of formation is presented, and connection is made with the empirical formula of Miedema et al. (1973).Keywords
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