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arXiv · 2006.03097

The Jahn-Teller effect and spin--orbit coupling: friends or foes?

S. V. Streltsov·D. I. Khomskii
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Abstract

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.

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S. V. Streltsov, D. I. Khomskii. 2020-06-04. The Jahn-Teller effect and spin--orbit coupling: friends or foes?. https://doi.org/10.1103/physrevx.10.031043

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