Bond Ordering and Molecular Spin-Orbital Fluctuations in the Cluster Mott Insulator GaTa$_4$Se$_8$

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Auteurs principaux: Yang, Tsung-Han, Kawamoto, S., Higo, Tomoya, Wang, SuYin Grass, Stone, M. B., Neuefeind, Joerg, Ruff, Jacob P. C., Abeykoon, A. M. Milinda, Chen, Yu-Sheng, Nakatsuji, S., Plumb, K. W.
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Publié: 2022
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_version_ 1866913226400202752
author Yang, Tsung-Han
Kawamoto, S.
Higo, Tomoya
Wang, SuYin Grass
Stone, M. B.
Neuefeind, Joerg
Ruff, Jacob P. C.
Abeykoon, A. M. Milinda
Chen, Yu-Sheng
Nakatsuji, S.
Plumb, K. W.
author_facet Yang, Tsung-Han
Kawamoto, S.
Higo, Tomoya
Wang, SuYin Grass
Stone, M. B.
Neuefeind, Joerg
Ruff, Jacob P. C.
Abeykoon, A. M. Milinda
Chen, Yu-Sheng
Nakatsuji, S.
Plumb, K. W.
contents For materials where spin-orbit coupling is competitive with electronic correlations, the spatially anisotropic spin-orbital wavefunctions can stabilize degenerate states that lead to many and diverse quantum phases of matter. Here, we find evidence for a dynamical spin-orbital state preceding a T$^*$=50 K order-disorder spin-orbital ordering transition in the $j\!=\!3/2$ lacunar spinel GaTa$_4$Se$_8$. Above T$^*$, GaTa$_4$Se$_8$ has an average cubic crystal structure, but total scattering measurements indicate local non-cubic distortions of Ta$_4$ tetrahedral clusters for all measured temperatures $2 < T < 300$ K. Inelastic neutron scattering measurements reveal the dynamic nature of these local distortions through symmetry forbidden optical phonon modes that modulate $j\!=\!3/2$ molecular orbital occupation as well as intercluster Ta-Se bonds. Spin-orbital ordering at T$^*$ cannot be attributed to a classic Jahn-Teller mechanism and based on our findings, we propose that intercluster interactions acting on the scale of T$^*$ act to break global symmetry. The resulting staggered intercluster dimerization pattern doubles the unit cell, reflecting a spin-orbital valence bond ground state.
format Preprint
id arxiv_https___arxiv_org_abs_2206_07738
institution arXiv
publishDate 2022
record_format arxiv
spellingShingle Bond Ordering and Molecular Spin-Orbital Fluctuations in the Cluster Mott Insulator GaTa$_4$Se$_8$
Yang, Tsung-Han
Kawamoto, S.
Higo, Tomoya
Wang, SuYin Grass
Stone, M. B.
Neuefeind, Joerg
Ruff, Jacob P. C.
Abeykoon, A. M. Milinda
Chen, Yu-Sheng
Nakatsuji, S.
Plumb, K. W.
Strongly Correlated Electrons
For materials where spin-orbit coupling is competitive with electronic correlations, the spatially anisotropic spin-orbital wavefunctions can stabilize degenerate states that lead to many and diverse quantum phases of matter. Here, we find evidence for a dynamical spin-orbital state preceding a T$^*$=50 K order-disorder spin-orbital ordering transition in the $j\!=\!3/2$ lacunar spinel GaTa$_4$Se$_8$. Above T$^*$, GaTa$_4$Se$_8$ has an average cubic crystal structure, but total scattering measurements indicate local non-cubic distortions of Ta$_4$ tetrahedral clusters for all measured temperatures $2 < T < 300$ K. Inelastic neutron scattering measurements reveal the dynamic nature of these local distortions through symmetry forbidden optical phonon modes that modulate $j\!=\!3/2$ molecular orbital occupation as well as intercluster Ta-Se bonds. Spin-orbital ordering at T$^*$ cannot be attributed to a classic Jahn-Teller mechanism and based on our findings, we propose that intercluster interactions acting on the scale of T$^*$ act to break global symmetry. The resulting staggered intercluster dimerization pattern doubles the unit cell, reflecting a spin-orbital valence bond ground state.
title Bond Ordering and Molecular Spin-Orbital Fluctuations in the Cluster Mott Insulator GaTa$_4$Se$_8$
topic Strongly Correlated Electrons
url https://arxiv.org/abs/2206.07738