Characterization of Fe 3d states in CuFeS2 by resonant X-ray emission spectroscopy

Authors

  • Katsuaki Sato,

    1. Office of Basic Research, Japan Science and Technology Agency (JST), Sambancho, Chiyoda-ku, Tokyo 102-0075, Japan
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  • Yoshihisa Harada,

    1. Department of Applied Chemistry, The University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo 113-8656, Japan
    2. RIKEN/SPring-8, 1-1-1 Kouto, Sayo-cho, Sayo-gun, Hyogo 679-5148, Japan
    3. CREST, Japan Science and Technology Agency (JST), 4-1-8 Hon-cho, Kawaguchi, Saitama 332-0012, Japan
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  • Munetaka Taguchi,

    1. RIKEN/SPring-8, 1-1-1 Kouto, Sayo-cho, Sayo-gun, Hyogo 679-5148, Japan
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  • Shik Shin,

    1. RIKEN/SPring-8, 1-1-1 Kouto, Sayo-cho, Sayo-gun, Hyogo 679-5148, Japan
    2. CREST, Japan Science and Technology Agency (JST), 4-1-8 Hon-cho, Kawaguchi, Saitama 332-0012, Japan
    3. Institute for Solid State Physics (ISSP), The University of Tokyo, 5-1-5, Kashiwanoha, Kashiwa, Chiba 277-8581, Japan
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  • Atsushi Fujimori

    1. Department of Physics, The University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo 113-8656, Japan
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Abstract

Resonant X-ray emission spectroscopy (RXES) experiments were carried out in a single crystal of chalcopyrite CuFeS2, an antiferromagnetic semiconductor with a golden lustre, to unravel the overlapping d–d and charge-transfer transitions extending well above the absorption edge, which cannot be observed by conventional optical absorption experiments. The observed RXES spectra have been analyzed by means of cluster-model calculation with configuration interaction, which leads to the conclusion that CuFeS2 is a Haldane–Anderson insulator with a negative value of charge transfer energy, Δ = –3 eV. (© 2009 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim)

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