Dwivedi, G.
, Kumawat, S.
, Chin, Y.
, Lynn, J.
and Chou, H.
(2024),
Role of p-d Hybridization in Structural Transition and Magnetic Properties of Co-substituted Mn3O4: X-ray Absorption Spectroscopy Study, Journal of Alloys and Compounds, [online], https://doi.org/10.1016/j.jallcom.2024.173651, https://tsapps.nist.gov/publication/get_pdf.cfm?pub_id=956986
(Accessed October 9, 2025)
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Role of p-d Hybridization in Structural Transition and Magnetic Properties of Co-substituted Mn3O4: X-ray Absorption Spectroscopy Study
Published
Author(s)
G. Dwivedi, S.M. Kumawat, Y.Y. Chin, ,
Abstract
This work investigates the role of p-d orbital hybridization in the structural transition from tetragonal I41/amd to cubic Fd3 ̅m and enhancement in Néel temperature (TN) from 43K to 175K in Co-substituted (Mn1-xCox)3O4 (where x = 0.0, 0.1, 0.2, 0.3, 0.5, and 0.6). X-ray absorption spectra of Co-L2,3 and Mn-L2,3 edges show that the high-spin Co2+ cations initially substitute the Mn2+ at the tetrahedral-sites. When the tetrahedral-sites are fully occupied, then the high-spin Co3+ cations begin to occupy the octahedral-site. The substitution of Co cations at both the tetrahedral and octahedral-sites increases the bond angle between adjacent tetrahedral and octahedral site cations via O-2p orbitals, suppressing the orbital instability of Mn3+ cations. These effects dramatically enhance the superexchange interaction and hence the TN.Citation
Journal of Alloys and Compounds
Volume
981
Pub Type
Journals
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Keywords
Spinel material, Geometric Frustration, Doping Effect
Citation
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Created February 8, 2024, Updated March 13, 2024