Fe 3d states in Cd0.89Fe0.11Se

Y. Ueda, M. Taniguchi, T. Mizokawa, A. Fujimori, I. Souma, Y. Oka

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A measure of the Fe 3d partial density of states (DOS) in the valence bands of Cd0.89Fe0.11Se single-phase single crystals has been obtained using synchrotron-radiation photoemission. Based on an analysis of the Fe 3d DOS spectrum in terms of a configuration-interaction calculation on a Fe2+(Se2-)4 model cluster, we find that the spectral intensities in the top 6 eV are predominantly due to transitions to d6L final-state configuration, where L represents a ligand hole. On the other hand, those at 7-15 eV originate mainly from transitions to the d5 configuration. The model calculation provides the Fe 3d Coulomb correlation energy of 4.5 eV.

Original languageEnglish
Pages (from-to)2167-2169
Number of pages3
JournalPhysical Review B
Issue number3
Publication statusPublished - 1994 Jan 1
Externally publishedYes

ASJC Scopus subject areas

  • Condensed Matter Physics

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    Ueda, Y., Taniguchi, M., Mizokawa, T., Fujimori, A., Souma, I., & Oka, Y. (1994). Fe 3d states in Cd0.89Fe0.11Se. Physical Review B, 49(3), 2167-2169. https://doi.org/10.1103/PhysRevB.49.2167