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Title: Ordering of Fe and Zn Ions and the Magnetic Properties of FeZnMo3O8
Authors: Streltsov, S. V.
Huang, D. -J.
Solovyev, I. V.
Khomskii, D. I.
Issue Date: 2019
Publisher: Pleiades Publishing
Citation: Ordering of Fe and Zn Ions and the Magnetic Properties of FeZnMo3O8 / S. V. Streltsov, D. -J. Huang, I. V. Solovyev, et al. — DOI 10.1134/S0021364019120026 // JETP Letters. — 2019. — Vol. 109. — Iss. 12. — P. 786-789.
Abstract: In the present paper, the electronic, magnetic, and structural properties of a novel system FeZnMo3O8 with a polar crystal structure are investigated using GGA + U (Generalized gradient approximation taking into account Coulomb correlations) calculations. It is shown that Fe ions preferably occupy octahedral and Zn ions tetrahedral positions. This structural feature is caused by different ionic radii of these ions and not by the exchange coupling. The calculated exchange constants naturally explain magnetic structure observed in this material. © 2019, Pleiades Publishing, Inc.
Access: info:eu-repo/semantics/openAccess
SCOPUS ID: 85067231738
PURE ID: 10772466
ISSN: 213640
DOI: 10.1134/S0021364019120026
Appears in Collections:Научные публикации, проиндексированные в SCOPUS и WoS CC

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