Title: Magnetic moment and hyperfine field on Fe sites in RFe6Sn6 compounds
Abstract: Electronic structure and hyperfine fields are calculated for antiferromagnetic YFe6Sn6 using the linear muffin-tin orbital method. The results show that Fe atoms have a strong ferromagnetic character with a full majority-spin band. The Fe moment is 2.2 μB while the Fermi contact term contributes a hyperfine field of 20 T at the natural lattice parameters. The hyperfine field is close to the experimental value of 22 T measured at low temperature. The calculation shows that the core s electrons contribute 24 T to the hyperfine field, but the 4s electron contributes 4 T in the opposite direction. Calculations using different unit cell volumes reveal that only the core electron contributions to the hyperfine field are proportional to the Fe magnetic moment with a conversion factor of 11.8 T/μB; the 4s contribution is not. The large local Fe moment and small hyperfine field are similar to those found in Fe2P and FeO.
Publication Year: 1998
Publication Date: 1998-06-01
Language: en
Type: article
Indexed In: ['crossref']
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Cited By Count: 7
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