Isomer shifts and hyperfine fields in iron compounds
- 6 March 1989
- journal article
- Published by IOP Publishing in Journal of Physics: Condensed Matter
- Vol. 1 (9) , 1589-1599
- https://doi.org/10.1088/0953-8984/1/9/005
Abstract
The 57Fe isomer shifts and magnetic hyperfine fields in several iron compounds are computed using self-consistent spin-polarised electronic structure calculations within the LMTO formalism. A good account of experimental trends is obtained, and a value for the mean square radius difference between the two nuclear states involved in the 57Fe isomeric transition of Delta (r2)=-20*10-3 fm2 is derived. In the compounds considered the hyperfine field is found to scale with the local iron moment except for those cases where the Fe majority band is fully occupied.Keywords
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