Journal article

Displacive Jahn–Teller transition in NaNiO2

Abstract:: Below its Jahn–Teller transition temperature, T_JT, NaNiO₂ has a monoclinic layered structure consisting of alternating layers of edge-sharing NaO₆ and Jahn–Teller-distorted NiO₆ octahedra. Above T_JT where NaNiO₂ is rhombohedral, diffraction measurements show the absence of a cooperative Jahn–Teller distortion, accompanied by an increase in the unit cell volume. Using neutron total scattering, solid-state Nuclear Magnetic Resonance (NMR), and extended X-ray absorption fine structure (EXAFS) experiments as local probes of the structure we find direct evidence for a displacive, as opposed to order–disorder, Jahn–Teller transition at T_JT. This is supported by ab initio molecular dynamics (AIMD) simulations. To our knowledge this study is the first to show a displacive Jahn–Teller transition in any material using direct observations with local probe techniques.

Publication status:: Published

Peer review status:: Peer reviewed

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APA Style

Nagle-Cocco, L. A. V., Genreith-Schriever, A. R., Steele, J. M. A., Tacconis, C., Bocarsly, J. D., Mathon, O., Neuefeind, J. C., Liu, J., O’Keefe, C. A., Goodwin, A. L., Grey, C. P., Evans, J. S. O., & Dutton, S. E. (2024). Displacive Jahn–Teller transition in NaNiO2. Journal of the American Chemical Society, 146(43), 29267–29988.

MLA Style

Nagle-Cocco, L. AV, et al. “Displacive Jahn–Teller Transition in NaNiO2.” Journal of the American Chemical Society, vol. 146, no. 43, American Chemical Society, 2024, pp. 29267–988.

Chicago Style

Nagle-Cocco, LAV, AR Genreith-Schriever, JMA Steele, C Tacconis, JD Bocarsly, O Mathon, JC Neuefeind, et al. 2024. “Displacive Jahn–Teller Transition in NaNiO2.” Journal of the American Chemical Society 146 (43): 29267–988.
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Files:: Nagle-Cocco_et_al_2024_Displacive_Jahn-Teller_transition.pdf

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Publisher copy:: 10.1021/jacs.4c09922

Authors

+ Nagle-Cocco, LAV More by this author

Role:: Author

+ Genreith-Schriever, AR More by this author

Role:: Author

+ Steele, JMA More by this author

Role:: Author

+ Tacconis, C More by this author

Role:: Author

+ Bocarsly, JD More by this author

Role:: Author

More authors...

+ Engineering and Physical Sciences Research Council More from this funder

Funder identifier:: https://ror.org/0439y7842
Grant:: EP/R513180/1; EP/L015978/1

+ The Faraday Institution More from this funder

Funder identifier:: https://ror.org/05dt4bt98
Grant:: FIRG001; FIRG017; FIRG024; FIRG060

+ European Research Council More from this funder

Funder identifier:: https://ror.org/0472cxd90
Grant:: 788144

+ Cambridge Philosophical Society More from this funder

Funder identifier:: https://ror.org/001ajjs72

Publisher:: American Chemical Society
Journal:: Journal of the American Chemical Society More from this journal
Volume:: 146
Issue:: 43
Pages:: 29267-29988
Publication date:: 2024-10-14
Acceptance date:: 2024-09-27
DOI:: 10.1021/jacs.4c09922
EISSN:: 1520-5126
ISSN:: 0002-7863

Language:: English
Pubs id:: 2036962
Local pid:: pubs:2036962
Deposit date:: 2024-10-07

Terms of use

Copyright holder:: Nagle-Cocco et al.
Copyright date:: 2024
Rights statement:: © 2024 The Authors. Published byAmerican Chemical Society. This article is licensed under CC-BY 4.0.

Licence:: CC Attribution (CC BY)

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