Local structure of Mott insulating iron oxychalcogenides La2 O2 Fe2 OM2 (M = S , Se)

We describe the local structural properties of the iron oxychalcogenides, La2 O2 Fe2 OM2 (M = S, Se), by using pair distribution function analysis applied to total scattering data. Our results from neutron powder diffraction show that M = S and Se possess similar nuclear structures at low and room t...

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Bibliographic Details
Published in:Physical review. B 2021-08, Vol.104 (6)
Main Authors: Karki, B, Alfailakawi, A, Frandsen, Benjamin A, Everett, M S, Neuefeind, J C, Xu, Binjie, Wang, Hangdong, Fang, Minghu, Freelon, B
Format: Article
Language:English
Subjects:
Buckling
Crystal structure
Distribution functions
Function analysis
Iron
Neutron diffraction
Room temperature
Scattering
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Summary:We describe the local structural properties of the iron oxychalcogenides, La2 O2 Fe2 OM2 (M = S, Se), by using pair distribution function analysis applied to total scattering data. Our results from neutron powder diffraction show that M = S and Se possess similar nuclear structures at low and room temperatures. The local crystal structures were studied by investigating deviations in atomic positions and the extent of the formation of orthorhombicity. Analysis of the total scattering data suggests that buckling of the Fe2O plane occurs below 100 K. The buckling may occur concomitantly with a change in octahedral height. Furthermore, within a typical range of 1–2 nm, we observed a short-range orthorhombiclike structure suggestive of nematic fluctuations in both of these materials.
ISSN:2469-9950
2469-9969
DOI:10.1103/PhysRevB.104.064101