Janus双过渡金属MXenes中自旋、原子轨道与Bloch动力学之间自旋-轨道耦合的出现
Emergence of spin-orbit coupling among spin, atomic orbital, and Bloch dynamics in Janus double-transition-metal MXenes
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中文总结 AI 辅助
研究发现Janus双过渡金属MXenes中自旋-轨道耦合关联自旋、轨道和Bloch动力学，产生三角自旋-动量锁定，为探索新型自旋现象提供平台。
中文摘要 AI 辅助
我们在研究Janus双过渡金属MXenes Mo$_2$HfC$_2$OS和W$_2$HfC$_2$OS的电子结构时，发现一种自旋-轨道耦合会导致电子自旋、轨道和Bloch动力学这三个自由度之间产生同时关联。本文还揭示，该自旋-轨道耦合在绝缘隙附近的$\Gamma$点周围引起具有三角图案的交错自旋构型。我们开发了一个描述电子态的简化哈密顿量，并表明即使在低能量和小波数条件下的近似中，该自旋-轨道耦合也不能等同于固体中单电子的常规形式，即LS、Rashba和Dresselhaus耦合。由于导带的固有形状，出现了三角交替的自旋-动量锁定，其自旋轴垂直于层平面。理论分析表明，这些Janus材料可以为探索除Rashba和Dresselhaus类型之外的三角自旋-动量锁定相关的自旋现象提供平台。
英文摘要
We found a spin-orbit coupling to cause a simultaneous correlation among three degrees of freedom, the electronic spin, orbital, and Bloch dynamics in an investigation into the electronic structure of Janus double-transition-metal MXenes, Mo$_2$HfC$_2$OS and W$_2$HfC$_2$OS. In this paper, it is also revealed that the spin-orbit coupling causes a staggered spin configuration with a trigonal pattern around the $Γ$ point near the insulating gap. We developed a reduced Hamiltonian describing the electronic states and show that the spin-orbit coupling cannot be equated with conventional forms for a single electron in solids, LS, Rashba, and Dresselhaus couplings, even in the approximation under the low-energy and small wave number condition. Because of the intrinsic shape of the conduction band, a trigonally alternating spin-momentum locking emerges with the spin axis perpendicular to the layer plane. The theoretical analysis shows that these Janus materials can provide a platform for exploring the spin-related phenomena due to the trigonal spin-momentum locking other than Rashba and Dresselhaus types.
发表机构
- Kyoto University of Advanced Science（京都先端科学大学）
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