Transferred hyperfine fields in rare-earth-substituted YFe<sub>2</sub> and YNi<sub>2</sub>
D Guenzburger; P R Sobral; A P Guimaraes; D Guenzburger; Centro Brasileiro de Pesquisas Fisicas, Rio de Janeiro, Brazil; P R Sobral; Centro Brasileiro de Pesquisas Fisicas, Rio de Janeiro, Brazil; A P Guimaraes; Centro Brasileiro de Pesquisas Fisicas, Rio de Janeiro, Brazil
Журнал:
Journal of Physics: Condensed Matter
Дата:
1994-03-21
Аннотация:
In the intermetallic compound YFe<sub>2</sub>, the metallic hyperfine field at the Y nucleus, as measured by <sup>89</sup>Y NMR spectroscopy, is affected by the substitution of one or more neighbour Y atoms by different rare-earth impurities. In order to understand the underlying mechanisms for the transferred hyperfine interaction, we have performed first-principles calculations, within the local spin-density theory, for embedded clusters representing a Y atom and its vicinity in the compounds Y<sub>1-x</sub>R<sub>x</sub>Fe<sub>2</sub> (R=Gd, Tb, Ho, Tm or Lu) and Y<sub>1-x</sub>Gd<sub>x</sub>Ni<sub>2</sub>. The contact magnetic hyperfine field and the dipolar field were obtained; the resulting total held was found to increase with the spin of the rare-earth impurity. Orbital hyperfine fields were not considered. The contact transferred field was found to arise from direct polarization of the s electrons by the rare-earth spin.
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