Year: 2024
Type: article
Abstract: Below its Jahn-Teller transition temperature, TJT, NaNiO2 has a monoclinic layered structure consisting of alternating layers of edge-sharing NaO6 and Jahn-Teller-distorted NiO6 octahedra. Above TJT 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 TJT. 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.
Source: Apollo (University of Cambridge)
DOI: 10.17863/cam.112407
Authors: Nagle-Cocco, Liam AV, Genreith-Schriever, Annalena R, Steele, James MA, Tacconis, Camilla, Bocarsly, Joshua D, Mathon, Olivier, Neuefeind, Joerg C, Liu, Jue, O'Keefe, Christopher A, Goodwin, Andrew L, Grey, Clare P, Evans, John SO, Dutton, Siân E
Language: English
Subfield: Materials Chemistry
Field: Materials Science
Domain: Physical Sciences
Open Access status: green
OpenAlex ID: W6944009732
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