Skip to main content

Research Repository

Advanced Search

Anomalous magnetic exchange in a dimerized quantum magnet composed of unlike spin species

Curley, S.P.M.; Huddart, B.M.; Kamenskyi, D.; Coak, M.J.; Williams, R.C.; Ghannadzadeh, S.; Schneider, A.; Okubo, S.; Sakurai, T.; Ohta, H.; Tidey, J.P.; Graf, D.; Clark, S.J.; Blundell, S.J.; Pratt, F.L.; Telling, M.T.F.; Lancaster, T.; Manson, J.L.; Goddard, P.A.

Anomalous magnetic exchange in a dimerized quantum magnet composed of unlike spin species Thumbnail


Authors

S.P.M. Curley

D. Kamenskyi

M.J. Coak

R.C. Williams

S. Ghannadzadeh

A. Schneider

S. Okubo

T. Sakurai

H. Ohta

J.P. Tidey

D. Graf

S.J. Blundell

F.L. Pratt

M.T.F. Telling

J.L. Manson

P.A. Goddard



Abstract

We present here a study of the magnetic properties of the antiferromagnetic dimer material CuVOF 4 ( H 2 O ) 6 ⋅ H 2 O , in which the dimer unit is composed of two different S = 1 / 2 species, Cu(II) and V(IV). An applied magnetic field of μ 0 H c 1 = 13.1 ( 1 ) T is found to close the singlet-triplet energy gap, the magnitude of which is governed by the antiferromagnetic intradimer J 0 ≈ 21 K, and interdimer J ′ ≈ 1 K, exchange energies, determined from magnetometry and electron-spin resonance measurements. The results of density functional theory (DFT) calculations are consistent with the experimental results. The DFT calculations predict antiferromagnetic coupling along all nearest-neighbor bonds, with the magnetic ground state comprising spins of different species aligning antiparallel to one another, while spins of the same species are aligned parallel. The magnetism in this system cannot be accurately described by the overlap between localized V orbitals and magnetic Cu orbitals lying in the Jahn-Teller (JT) plane, with a tight-binding model based on such a set of orbitals incorrectly predicting that interdimer exchange should be dominant. DFT calculations indicate significant spin density on the bridging oxide, suggesting instead an unusual mechanism in which intradimer exchange is mediated through the O atom on the Cu(II) JT axis.

Citation

Curley, S., Huddart, B., Kamenskyi, D., Coak, M., Williams, R., Ghannadzadeh, S., …Goddard, P. (2021). Anomalous magnetic exchange in a dimerized quantum magnet composed of unlike spin species. Physical Review B, 104(21), Article 214435. https://doi.org/10.1103/physrevb.104.214435

Journal Article Type Article
Acceptance Date Nov 22, 2021
Online Publication Date Dec 30, 2021
Publication Date Dec 1, 2021
Deposit Date Jan 3, 2022
Publicly Available Date Apr 22, 2022
Journal Physical Review B
Print ISSN 2469-9950
Electronic ISSN 2469-9969
Publisher American Physical Society
Peer Reviewed Peer Reviewed
Volume 104
Issue 21
Article Number 214435
DOI https://doi.org/10.1103/physrevb.104.214435
Related Public URLs https://arxiv.org/abs/2109.01529

Files

Published Journal Article (2.1 Mb)
PDF

Copyright Statement
Reprinted with permission from the American Physical Society: Curley, S. P. M., Huddart, B. M., Kamenskyi, D., Coak, M. J., Williams, R. C., Ghannadzadeh, S., Schneider, A., Okubo, S., Sakurai, T., Ohta, H., Tidey, J. P., Graf, D., Clark, S. J., Blundell, S. J., Pratt, F. L., Telling, M. T. F., Lancaster, T., Manson, J. L. & Goddard, P. A. (2021). Anomalous magnetic exchange in a dimerized quantum magnet composed of unlike spin species. Physical Review B 104(21): 214435. © (2021) by the American Physical Society. Readers may view, browse, and/or download material for temporary copying purposes only, provided these uses are for noncommercial personal purposes. Except as provided by law, this material may not be further reproduced, distributed, transmitted, modified, adapted, performed, displayed, published, or sold in whole or part, without prior written permission from the American Physical Society.





You might also like



Downloadable Citations