Journal Article

PUBDB-2025-03918

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Local structural distortions drive magnetic molecular field in compositionally complex spinel oxide

Nevgi, R. (Corresponding author)Extern* ; Dey, S. ; Bhattacharya, N.Extern* ; Ershadrad, S. ; Dan, T.Extern*DESY* ; Chakravarty, S.Extern* ; Kaushik, S. D.Extern* ; Klewe, C.Extern* ; Sterbinsky, G. E. ; Sanyal, B. ; Middey, S. (Corresponding author)Extern*

2025
Springer Nature [London]

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Please use a persistent id in citations: doi:10.1038/s41467-025-62268-x  doi:10.3204/PUBDB-2025-03918

Abstract: Understanding how local distortions determine the functional properties of high entropy materials, containing five or more elements at the same crystallographic site, is an open challenge. We address this for a compositionally complex spinel oxide (Mn$_{0.2}$Co$_{0.2}$Ni$_{0.2}$Cu$_{0.2}$Zn$_{0.2}$)Cr$_2$O$_4$ (A$_5$Cr$_2$O$_4$). By comparatively examining extended X-ray absorption fine structure on A$_5$Cr$_2$O$_4$ and its parent counterparts, ACr$_2$O$_4$, along with density functional theory calculations for multiple configurations, we find that the element-specific distortions go beyond the first neighbor. Specifically, the strong Jahn-Teller distortion present in CuCr$_2$O$_4$ is found to be completely suppressed in A$_5$Cr$_2$O$_4$ even locally. Instead, there is a broad distribution of Cu-O and Cu-Cr bond distances, while other A-O distances acquire certain specific values. This study demonstrates the additional flexibility of a cationic sublattice in maintaining a uniform long-range structure, in contrast to previous reports showing only the accommodative anionic sublattice. The mean-field magnetic interactions of A$_5$Cr$_2$O$_4$ exhibit a striking resemblance to those of NiCr$_2$O$_4$, despite the presence of multiple magnetic ions and variable bond lengths. This originates from the comparability of bond lengths around Cr in both materials. Our study paves the way for a deeper understanding of the impact of local structural distortions on the physical properties of compositionally complex quantum materials.

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Contributing Institute(s):

1. DOOR-User (DOOR ; HAS-User)
2. FS DOOR-User (FS DOOR-User)
3. PETRA-S (FS-PETRA-S)
4. Nanolab (FS-NL)

Research Program(s):

1. 632 - Materials – Quantum, Complex and Functional Materials (POF4-632) (POF4-632)
2. 6G3 - PETRA III (DESY) (POF4-6G3) (POF4-6G3)
3. INDIA-DESY - INDIA-DESY Collaboration (2020_Join2-INDIA-DESY) (2020_Join2-INDIA-DESY)

Experiment(s):

1. PETRA Beamline P65 (PETRA III)

Appears in the scientific report 2025

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