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- W1983231815 abstract "Fe impurities diluted in hexagonal-close-packed (hcp) Ru are experimentally known to be nonmagnetic. We present here a fast numerical self-consistent procedure to obtain the charge and spin distribution around one Fe impurity within the Linear Muffin Tin Orbitals (LMTO) - Green's function method, using the Atomic Sphere Approximation (ASA) and the Local Spin Density Approximation (LSDA) for the exchange-correlation potential. The relative importance of the various contributions to the screening of the pertubed cluster is analysed and it is shown that the nonmagnetic character of the impurity is most probably due to small relaxation effects in the alloy." @default.
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- W1983231815 date "1993-02-01" @default.
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- W1983231815 title "Charge and spin distribution around an iron impurity in hexagonal-close-packed rethenium" @default.
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- W1983231815 doi "https://doi.org/10.1016/0304-8853(93)90412-u" @default.
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