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- Title
Ordering of Fe and Zn Ions and the Magnetic Properties of FeZnMo<sub>3</sub>O<sub>8</sub>.
- Authors
Streltsov, S. V.; Huang, D.-J.; Solovyev, I. V.; Khomskii, D. I.
- 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.
- Subjects
MAGNETIC ions; MAGNETIC properties; MAGNETIC structure; CRYSTAL structure; FERRITES
- Publication
JETP Letters, 2019, Vol 109, Issue 12, p786
- ISSN
0021-3640
- Publication type
Article
- DOI
10.1134/S0021364019120026