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Haridasan, T.M.; Lawrence, N.
International Centre for Theoretical Physics, Trieste (Italy)1985
International Centre for Theoretical Physics, Trieste (Italy)1985
AbstractAbstract
[en] The problem of cation self diffusion in NaCl for a single vacancy mechanism is attempted using a reaction coordinate approach employing the phonons in the system. The vacancy is given an active role by estimating the displacements of its nearest neighbour Cl- ions in the environment of the vacancy through the lattice Green's functions and the t matrix formalism. The jump frequency, the isotope effect and diffusion coefficients estimated by this approach agree well with the experimentally deduced values. These results support the experimental conclusion of about 30% of vacancy pairs in the cation diffusion in NaCl. (author)
Source
Sep 1985; 13 p; 9 refs, 2 figs, 3 tabs.
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