Jahn-Teller Effect and Spin-Orbit Coupling: Friends or Foes?
The Jahn-Teller effect is one of the most fundamental phenomena important not only for physics but also for chemistry and material science. Solving the Jahn-Teller problem and taking into account strong electron correlations we show that quantum entanglement of the spin and orbital degrees of freedo...
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American Physical Society
2020
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oai:doaj.org-article:71d5d8d337f24717a306ae1d3cc20ec72021-12-02T12:27:14ZJahn-Teller Effect and Spin-Orbit Coupling: Friends or Foes?10.1103/PhysRevX.10.0310432160-3308https://doaj.org/article/71d5d8d337f24717a306ae1d3cc20ec72020-08-01T00:00:00Zhttp://doi.org/10.1103/PhysRevX.10.031043http://doi.org/10.1103/PhysRevX.10.031043https://doaj.org/toc/2160-3308The Jahn-Teller effect is one of the most fundamental phenomena important not only for physics but also for chemistry and material science. Solving the Jahn-Teller problem and taking into account strong electron correlations we show that quantum entanglement of the spin and orbital degrees of freedom via spin-orbit coupling strongly affects this effect. Depending on the number of d electrons, it may quench (electronic configurations t_{2g}^{2}, t_{2g}^{4}, and t_{2g}^{5}), partially suppress (t_{2g}^{1}), or, in contrast, induce (t_{2g}^{3}) Jahn-Teller distortions. Moreover, in certain situations, interplay between the Jahn-Teller effect and spin-orbit coupling promotes formation of the “Mexican hat” energy surface facilitating various quantum phenomena.Sergey V. StreltsovDaniel I. KhomskiiAmerican Physical SocietyarticlePhysicsQC1-999ENPhysical Review X, Vol 10, Iss 3, p 031043 (2020) |
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Physics QC1-999 |
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Physics QC1-999 Sergey V. Streltsov Daniel I. Khomskii Jahn-Teller Effect and Spin-Orbit Coupling: Friends or Foes? |
description |
The Jahn-Teller effect is one of the most fundamental phenomena important not only for physics but also for chemistry and material science. Solving the Jahn-Teller problem and taking into account strong electron correlations we show that quantum entanglement of the spin and orbital degrees of freedom via spin-orbit coupling strongly affects this effect. Depending on the number of d electrons, it may quench (electronic configurations t_{2g}^{2}, t_{2g}^{4}, and t_{2g}^{5}), partially suppress (t_{2g}^{1}), or, in contrast, induce (t_{2g}^{3}) Jahn-Teller distortions. Moreover, in certain situations, interplay between the Jahn-Teller effect and spin-orbit coupling promotes formation of the “Mexican hat” energy surface facilitating various quantum phenomena. |
format |
article |
author |
Sergey V. Streltsov Daniel I. Khomskii |
author_facet |
Sergey V. Streltsov Daniel I. Khomskii |
author_sort |
Sergey V. Streltsov |
title |
Jahn-Teller Effect and Spin-Orbit Coupling: Friends or Foes? |
title_short |
Jahn-Teller Effect and Spin-Orbit Coupling: Friends or Foes? |
title_full |
Jahn-Teller Effect and Spin-Orbit Coupling: Friends or Foes? |
title_fullStr |
Jahn-Teller Effect and Spin-Orbit Coupling: Friends or Foes? |
title_full_unstemmed |
Jahn-Teller Effect and Spin-Orbit Coupling: Friends or Foes? |
title_sort |
jahn-teller effect and spin-orbit coupling: friends or foes? |
publisher |
American Physical Society |
publishDate |
2020 |
url |
https://doaj.org/article/71d5d8d337f24717a306ae1d3cc20ec7 |
work_keys_str_mv |
AT sergeyvstreltsov jahntellereffectandspinorbitcouplingfriendsorfoes AT danielikhomskii jahntellereffectandspinorbitcouplingfriendsorfoes |
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1718394459732836352 |