Orthogonal magnetic structures of Fe<sub>4</sub>O<sub>5</sub>: representation analysis and DFT calculations-Reference-Cited by-同舟云学术

Orthogonal magnetic structures of Fe₄O₅: representation analysis and DFT calculations

Published:2024 Issue:5 Volume:53 Page:2242-2251
ISSN:1477-9226
Container-title:Dalton Transactions
language:en
Short-container-title:Dalton Trans.

Author:

Zhandun Vyacheslav S.¹^ORCID,Kazak Natalia V.¹^ORCID,Kupenko Ilya²,Vasiukov Denis M.³⁴^ORCID,Li Xiang²,Blackburn Elizabeth³^ORCID,Ovchinnikov Sergei G.¹^ORCID

Affiliation:

1. Kirensky Institute of Physics, Federal Research Center KSC SB RAS, 660036 Krasnoyarsk, Russia

2. Institut für Mineralogie, University of Münster, Corrensstr. 24, 48149 Münster, Germany

3. Division of Synchrotron Radiation Research, Department of Physics, Lund University, Box 118, Lund 221 00, Sweden

4. Materials Science and Applied Mathematics, Malmö University, Malmö 204 06, Sweden

Abstract

The orthogonal ground magnetic state of Fe4O5 has been established via a combination of representation analysis and the DFT calculations. Fe moments in slabs have AFM ordering along c-axis and prismatic Fe moments have FM ordering along b-axis.

Funder

Russian Foundation for Basic Research

Deutsche Forschungsgemeinschaft

Vetenskapsrådet

Publisher

Royal Society of Chemistry (RSC)

Subject

Inorganic Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2024/DT/D3DT03437B

Reference44 articles.

1. Synthesis and crystal structure of Mg-bearing Fe9O11: New insight in the complexity of Fe-Mg oxides at conditions of the deep upper mantle

2. Charge-ordering transition in iron oxide Fe4O5 involving competing dimer and trimer formation

3. Structural complexity of simple Fe2O3 at high pressures and temperatures

4. Discovery of Fe7O9: a new iron oxide with a complex monoclinic structure

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