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By J.J.M. Franse, R. Gersdorf (auth.), H.P.J. Wijn (eds.)

ISBN-10: 3540159045

ISBN-13: 9783540159049

ISBN-10: 3540396675

ISBN-13: 9783540396673

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Additional info for 3d, 4d and 5d Elements, Alloys and Compounds

Example text

8W)kOe [72K 11. lc= ‘) Extrapolated from high-temperature values. Table 1b. Temperature dependence of the NMR frequency for 57Fe in iron [61 B I]. 79 Table 2. Measured, by a technique which combines Miissbauer and internal conversion electron spectroscopy [74 S 2, 84 B 11, and calculated individual ns shell contributions to the hyperfine magnetic field of Fe metal in [kOe]. Fe band structure calculations are quoted for both the exchange correlation potential of von Barth-Hedin (vBH) and a Kohn-Sham (KS) local-exchange potential.

10 Ref. 71M2 71M2 71M2 ‘) The use of this crystal field model has been criticized and it is suggested that the regions of negative polarization are caused by a spin dependence of the radial part of the d electron wave function [71 D 11. ‘) Band calculations have found a variety of 4s polarization values. 024... 21 pa obtained from the neutron data analysis. “) For spherical symmetry this would be 60% T,, and 40% E, ‘) A Fourier inversion of the data is in agreementwith the model consisting of a nearly spherical distribution of spin density composed of a positive spin-polarized, 3d’ 4s2 free-atom like, contribution plus a constant negative contribution.

The form factor for Co showed no dependence on temperature between 78 and 300K. 7 / B & 1 . 5 I -A I Fig. 6. Projection of magnetic moment density on has; plane of hcp Co. Lower right diagram shows projecte position of atoms in orthorhombic unit cell. 0 Yi’ Iu Fig. 7. Comparison of the measured (solid circles) ant calculated (open circles) free atom magnetic form factors o Ni. Thc measured magnetic form factor was determined from the first 27 Bragg reflections. 019 pa/A3,aspincontribution obtained fron unrestricted Hartrcc-Fock calculations for Ni + + [60 W 1 61 W 43, an orbital part and a core contribution [66 M 21 The inelastic magnetic form factor in the [ 1001directior was found to be the same as that ofthe elastic form facto] [8l S I].

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3d, 4d and 5d Elements, Alloys and Compounds by J.J.M. Franse, R. Gersdorf (auth.), H.P.J. Wijn (eds.)


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