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Autores principales: Crawford, C. A., Hiley, C. I., Gainza, J., Ritter, C., Walton, R. I., Senn, Mark S.
Formato: Preprint
Publicado: 2025
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Acceso en línea:https://arxiv.org/abs/2504.03410
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author Crawford, C. A.
Hiley, C. I.
Gainza, J.
Ritter, C.
Walton, R. I.
Senn, Mark S.
author_facet Crawford, C. A.
Hiley, C. I.
Gainza, J.
Ritter, C.
Walton, R. I.
Senn, Mark S.
contents A detailed high-resolution, variable temperature powder diffraction study of the fluoro-perovskites NaFeF$_3$ and NaCoF$_3$ is performed to probe their orbital ordering transitions. Through analysis of the symmetry adapted macrostrains and atomic distortions, we show that NaFeF$_3$ undergoes a C-type orbital order transition associated with the $t_{2g}^4$ states of Fe$^{2+}$. Counter-intuitively, the phase transition leading to the orbital order appears second order-like, which contradicts the thermodynamic requirements for electronic and isosymmeric phase transitions, implying that there must be an associated hidden symmetry breaking. On the other hand, for NaCoF$_3$, consideration of the symmetry adapted strains allows us to confidently rule out the occurrence of any long-range orbital orders down to 4 K. Since NaCoF$_3$ is an insulator with quenched orbital angular momentum at this temperature, our findings point towards a novel kind of orbital disorder associated to the $t_{2g}^5$ electronic degeneracy.
format Preprint
id arxiv_https___arxiv_org_abs_2504_03410
institution arXiv
publishDate 2025
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spellingShingle Signatures of Orbital Order and Disorder in Fluoro-Perovskites with $t_{2g}$ Electronic Degeneracies
Crawford, C. A.
Hiley, C. I.
Gainza, J.
Ritter, C.
Walton, R. I.
Senn, Mark S.
Strongly Correlated Electrons
Materials Science
A detailed high-resolution, variable temperature powder diffraction study of the fluoro-perovskites NaFeF$_3$ and NaCoF$_3$ is performed to probe their orbital ordering transitions. Through analysis of the symmetry adapted macrostrains and atomic distortions, we show that NaFeF$_3$ undergoes a C-type orbital order transition associated with the $t_{2g}^4$ states of Fe$^{2+}$. Counter-intuitively, the phase transition leading to the orbital order appears second order-like, which contradicts the thermodynamic requirements for electronic and isosymmeric phase transitions, implying that there must be an associated hidden symmetry breaking. On the other hand, for NaCoF$_3$, consideration of the symmetry adapted strains allows us to confidently rule out the occurrence of any long-range orbital orders down to 4 K. Since NaCoF$_3$ is an insulator with quenched orbital angular momentum at this temperature, our findings point towards a novel kind of orbital disorder associated to the $t_{2g}^5$ electronic degeneracy.
title Signatures of Orbital Order and Disorder in Fluoro-Perovskites with $t_{2g}$ Electronic Degeneracies
topic Strongly Correlated Electrons
Materials Science
url https://arxiv.org/abs/2504.03410