A neutron diffraction and Mössbauer spectral study of Y2Fe14-xSixB shows that silicon preferentially occupies the 4c, and to a lesser extent, the 8j1 sites in Y2Fe14-xSixB. The trend in the site occupancy is the same as in Nd2Fe14-xSixB. The Curie temperature of Y2Fe14-xSixB increases with increasing silicon content. Neutron diffraction data show that the increase in Curie temperature is accompanied by a contraction of the unit cell. Wigner-Seitz cell calculations, using the Y2Fe14-xSixB lattice and positional parameters obtained by neutron diffraction, show that the silicon site occupancy is correlated with the rare earth contact area of that site. The Mössbauer spectra of Y2Fe14-xSi xB have been fit with a model which takes into account the distribution of near-neighbor environments of an iron atom due to the presence of silicon. The weighted average of Hmax, the average hyperfine field of the iron sites with no silicon near neighbors, decreases by 42 and 45 kOe per silicon substitution per formula unit at 85 and 295 K, respectively. The weighted average of ΔH, the average reduction in the hyperfine field caused by the addition of one silicon near neighbor to the near neighbor environment, is about 13.5 and 18 kOe at 85 and 295 K, respectively, and does not show an appreciable dependence on the silicon content. The isomer shifts obtained from these fits suggest an increase in covalency of bonding on silicon substitution, an increase which is consistent with the preference of silicon to bond with yttrium.
G. K. Marasinghe et al., "A Neutron Diffraction and Mössbauer Spectral Study of the Structure and Magnetic Properties of the Y2Fe14-xSixB Solid Solutions," Journal of Applied Physics, vol. 76, no. 5, pp. 2960-2968, American Institute of Physics Publishing LLC, Nov 1988.
The definitive version is available at https://doi.org/10.1063/1.357536
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