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Wiley, physica status solidi (c), 7-8(10), p. 989-992, 2013

DOI: 10.1002/pssc.201200814

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Hard X-ray photoemission study of the covalent-chain antiferromagnets TlFeS2 and TlFeSe2

Journal article published in 2013 by Kojiro Mimura ORCID, Satoru Motonami, YongGu Shim, Kazuki Wakita, Zakir Jahangirli, Oktay Alekperov, Nazim Mamedov, Hitoshi Sato, Yuki Utsumi, Shigenori Ueda, Kenya Shimada, Yukihiro Taguchi, Keisuke Kobayashi, Gustav Bihlmayer, Hirofumi Namatame and other authors.
This paper is made freely available by the publisher.
This paper is made freely available by the publisher.

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Abstract

Bulk electronic structures of covalent-chain antiferromagnets TlFeS2 and TlFeSe2 have been investigated by hard X-ray photoemission spectroscopy (HAXPES) and band calculations based on the full-potential linearized augmented plane wave method. Competition between localized and delocalized characters of Fe 3d electrons has been suggested by the slight discrepancies between valence-band HAXPES spectra and calculated density of states, as well as Fe 2p spectra with a broad charge-transfer satellite. It is assumed that this competition closely related to the crystallographic onedimensionality of these materials. (© 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim)