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- W2083556471 abstract "It is shown by calculations within the framework of transition-state theory and ab initio electron theory in a local-density approximation that the elementary diffusion jumps for Ni self-diffusion in ${D0}_{3}{mathrm{Ni}}_{3}mathrm{Sb}$ are nearest-neighbor jumps between sites on the $ensuremath{alpha}$ and $ensuremath{gamma}$ sublattices rather than next-nearest-neighbor jumps on the $ensuremath{alpha}$ sublattice, in agreement with the interpretation of inelastic neutron scattering experiments. Our effective activation energy of 0.57 eV agrees fairly well with the experimental value obtained by tracer diffusion experiments." @default.
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- W2083556471 date "1999-02-01" @default.
- W2083556471 modified "2023-09-26" @default.
- W2083556471 title "Ab initio calculation of the activation energy for Ni self-diffusion in D03 Ni3Sb" @default.
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- W2083556471 doi "https://doi.org/10.1103/physrevb.59.3274" @default.
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