论文标题
Jahn-Teller效果和旋转 - 轨道耦合：朋友还是敌人？
The Jahn-Teller effect and spin--orbit coupling: friends or foes?
论文作者
论文摘要
Jahn-Teller效应不仅对物理学，而且对化学和材料科学而言都是最基本的现象之一。解决了Jahn Teller问题并考虑到较强的电子相关性，我们表明，通过自旋 - 旋转自由度和轨道自由度的量子纠缠对这种效果产生了强烈影响。取决于可能淬灭的$ d $电子的数量（电子配置$ t_ {2g}^2 $，$ t_ {2g}^4 $和$ t_ {2g}^5 $），部分抑制（$ t_ {2g}^1 $）此外，在某些情况下，Jahn-Teller效应与自旋效应之间的相互作用 - 轨道耦合促进了促进各种量子现象的“墨西哥帽子”能量表面的形成。
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.
