Local structural distortions drive magnetic molecular field in compositionally complex spinel oxide

Rukma Nevgi (), Subha Dey, Nandana Bhattacharya, Soheil Ershadrad, Tinku Dan, Sujay Chakravarty, S. D. Kaushik, Christoph Klewe, George E. Sterbinsky, Biplab Sanyal and Srimanta Middey ()
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Rukma Nevgi: Indian Institute of Science
Subha Dey: Indian Institute of Science
Nandana Bhattacharya: Indian Institute of Science
Soheil Ershadrad: Uppsala University
Tinku Dan: Deutsches Elektronen-Synchrotron DESY
Sujay Chakravarty: Kalpakkam Centre Kokilamedu-603104
S. D. Kaushik: Bhabha Atomic Research Centre
Christoph Klewe: Lawrence Berkeley National Laboratory
George E. Sterbinsky: Argonne National Laboratory
Biplab Sanyal: Uppsala University
Srimanta Middey: Indian Institute of Science

Nature Communications, 2025, vol. 16, issue 1, 1-11

Abstract: 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 (Mn0.2Co0.2Ni0.2Cu0.2Zn0.2)Cr2O4 (A5Cr2O4). By comparatively examining extended X-ray absorption fine structure on A5Cr2O4 and its parent counterparts, ACr2O4, 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 CuCr2O4 is found to be completely suppressed in A5Cr2O4 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 A5Cr2O4 exhibit a striking resemblance to those of NiCr2O4, 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.

Date: 2025
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DOI: 10.1038/s41467-025-62268-x

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