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We report the results of ab initio energy-band calculations for the ternary inter-metallic compound GdMn(6)Ge(6). The ferrimagnetic arrangement of Gd and Mn magnetic sublattices is reproduced as well as the average moment per Mn atom. The comparatively low strength of the Gd-Mn effective exchange coupling and the occurrence of a weak orbital polarization (3%) at the manganese sites are further results of this analysis. The numerical results are compared with prior magnetization and hyperfine-field analyses.

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Authors: KELEMEN M.T, Physikalisches Institut, Universitõt Karlsruhe (DE);DORMANN E, Physikalisches Institut, Universitõt Karlsruhe (DE);BROOKS M.S.S, Commission of the European Communities, JRC, Institute for Transuranium Elements, Karlsruhe (DE)
Bibliographic Reference: An article published in: Journal of Physics Condensed Matter. 13 (2001) pp.657-664
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