Orbital moment and electrical field gradient on dilute transitional impurities in iron hosts

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Abstract
The author presents a model calculation for the determination of the unquenched local moment and the electrical field gradient on dilute heavy transitional impurities in iron hosts. Selfconsistent Hartree-Fock equations taking full account of the spin-orbit terms are written for the localized matrix elements of the perturbing potential on the impurity site. Truncation of the Hartree-Fock equations and Friedel's rule are used in order to determine the impurity potential. The band structure of pure iron is described by a hybridized tight binding nearly free electron (TBNFE) model and the calculation is performed for dilute impurities of the third transition series. The results are compared with hyperfine anomaly, Mossbauer data and nuclear magnetic resonance on Ir impurities in iron.