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Magnetism of the Fe2+ and Ce3+ sublattices in Ce2O2FeSe2 : a combined neutron powder diffraction, inelastic neutron scattering, and density functional study.

McCabe, E. E. and Stock, C. and Bettis, Jr., J. L. and Whangbo, M. H. and Evans, J. S. O. (2014) 'Magnetism of the Fe2+ and Ce3+ sublattices in Ce2O2FeSe2 : a combined neutron powder diffraction, inelastic neutron scattering, and density functional study.', Physical review B., 90 (23). p. 235115.

Abstract

The discovery of superconductivity in the 122 iron selenide materials above 30 K necessitates an understanding of the underlying magnetic interactions. We present a combined experimental and theoretical investigation of magnetic and semiconducting Ce 2 O 2 FeSe 2 composed of chains of edge-linked iron selenide tetrahedra. The combined neutron diffraction and inelastic scattering study and density functional calculations confirm the ferromagnetic nature of nearest-neighbor Fe-Se-Fe interactions in the ZrCuSiAs-related iron oxyselenide Ce 2 O 2 FeSe 2 . Inelastic measurements provide an estimate of the strength of nearest-neighbor Fe-Fe and Fe-Ce interactions. These are consistent with density functional theory calculations, which reveal that correlations in the Fe-Se sheets of Ce 2 O 2 FeSe 2 are weak. The Fe on-site repulsion U Fe is comparable to that reported for oxyarsenides and K 1−x Fe 2−y Se 2 , which are parents to iron-based superconductors.

Item Type:Article
Full text:(AM) Accepted Manuscript
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Status:Peer-reviewed
Publisher Web site:http://dx.doi.org/10.1103/PhysRevB.90.235115
Publisher statement:Reprinted with permission from the American Physical Society: Physical Review B 90, 235115 © 2014 by the American Physical Society. Readers may view, browse, and/or download material for temporary copying purposes only, provided these uses are for noncommercial personal purposes. Except as provided by law, this material may not be further reproduced, distributed, transmitted, modified, adapted, performed, displayed, published, or sold in whole or part, without prior written permission from the American Physical Society.
Date accepted:No date available
Date deposited:06 May 2015
Date of first online publication:December 2014
Date first made open access:No date available

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