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Large Orbital Moments and Internal Magnetic Fields in Lithium Nitridoferrate(I)

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Klatyk,  J.
Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

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Schnelle,  W.
Walter Schnelle, Inorganic Chemistry, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

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Wagner,  F. R.
Frank Wagner, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

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Niewa,  R.
Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

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Kniep,  R.
Rüdiger Kniep, Inorganic Chemistry, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

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Citation

Klatyk, J., Schnelle, W., Wagner, F. R., Niewa, R., Novak, P., Kniep, R., et al. (2002). Large Orbital Moments and Internal Magnetic Fields in Lithium Nitridoferrate(I). Physical Review Letters, 88(20): 207202, pp. 207202-207202. doi:10.1103/PhysRevLett.88.207202.


Cite as: https://hdl.handle.net/11858/00-001M-0000-0015-314F-7
Abstract
The iron nitridometalates Li-2[ (Li1-x Fe (I)(x))N] display ferromagnetic ordering and spin freezing. Large magnetic moments up to 5.0mu(B)/Fe are found in the magnetization. In Mossbauer effect studies huge hyperfine magnetic fields up to 696 kOe are observed at specific Fe sites. These extraordinary fields and moments originate in an unusual ligand field splitting for those Fe species leading [within local spin density approximation (LSDA)] to a localized orbitally degenerate doublet. Including spin-orbit interaction and strong intra-atomic electron correlation (LDA+SO+U) gives rise to a large orbital momentum.