Structural models of FeSex

E. Z. Kurmaev, J. A. McLeod, N. A. Skorikov, L. D. Finkelstein, A. Moewes, M. A. Korotin, Yu A. Izyumov, Y. L. Xie, G. Wu, X. H. Chen

Research output: Contribution to journalArticlepeer-review

4 Citations (Scopus)

Abstract

Two different structural models for non-stoichiometric FeSex are examined and compared with soft x-ray spectroscopy findings for FeSe x (x = 0.85, 0.50). A structural model of tetragonal FeSe with excess interstitial Fe gives better agreement with experiment than a structural model of tetragonal FeSe with Se vacancies. This interstitial Fe increases the number of 3d states at the Fermi level. We find evidence that large non-stoichiometric ratios of Fe:Se, such as that of FeSe0.50, yield clusters of pure Fe in the crystal structure.

Original languageEnglish
Article number435702
JournalJournal of Physics Condensed Matter
Volume21
Issue number43
DOIs
Publication statusPublished - 2009
Externally publishedYes

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