Magnetism of the Fe2+ and Ce3+ sublattices in Ce2 O2FeSe2: A combined neutron powder diffraction, inelastic neutron scattering, and density functional study

McCabe, E.E., Stock, C., Bettis, J.L., Whangbo, M.-H., Evans, J.S.O. (2014) Magnetism of the Fe2+ and Ce3+ sublattices in Ce2 O2FeSe2: A combined neutron powder diffraction, inelastic neutron scattering, and density functional study. Physical Review B - Condensed Matter and Materials Physics, 90 (23). p. 235115. ISSN 10980121 (ISSN). (doi:10.1103/PhysRevB.90.235115) (The full text of this publication is not currently available from this repository. You may be able to access a copy if URLs are provided)

The full text of this publication is not currently available from this repository. You may be able to access a copy if URLs are provided. (Contact us about this Publication)
Official URL
http://www.scopus.com/inward/record.url?eid=2-s2.0...

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 Ce2O2FeSe2 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 Ce2O2FeSe2. 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 Ce2O2FeSe2 are weak. The Fe on-site repulsion UFe is comparable to that reported for oxyarsenides and K1-xFe2-ySe2, which are parents to iron-based superconductors.

Item Type: Article
DOI/Identification number: 10.1103/PhysRevB.90.235115
Additional information: Unmapped bibliographic data: C7 - 235115 [EPrints field already has value set] LA - English [Field not mapped to EPrints] J2 - Phys. Rev. B Condens. Matter Mater. Phys. [Field not mapped to EPrints] AD - School of Physical Sciences, University of KentCanterbury, United Kingdom [Field not mapped to EPrints] AD - Department of Chemistry, Durham UniversityDurham, United Kingdom [Field not mapped to EPrints] AD - School of Physics and Astronomy, University of EdinburghEdinburgh, United Kingdom [Field not mapped to EPrints] AD - Department of Chemistry, North Carolina State UniversityRaleigh, NC, United States [Field not mapped to EPrints] DB - Scopus [Field not mapped to EPrints]
Subjects: Q Science > QC Physics > QC173.45 Condensed Matter
Q Science > QC Physics > QC176 Solid state physics
Q Science > QD Chemistry > QD478 Solid State Chemistry
Divisions: Faculties > Sciences > School of Physical Sciences > Functional Materials Group
Depositing User: Emma McCabe
Date Deposited: 10 Apr 2015 09:49 UTC
Last Modified: 29 May 2019 14:24 UTC
Resource URI: https://kar.kent.ac.uk/id/eprint/47923 (The current URI for this page, for reference purposes)
  • Depositors only (login required):