面内磁化取向驱动的 OsCl3 单层拓扑相变

IF 2.9 Q3 CHEMISTRY, PHYSICAL Electronic Structure Pub Date : 2024-05-27 DOI:10.1088/2516-1075/ad4b81
Ritwik Das, Subhadeep Bandyopadhyay and Indra Dasgupta
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引用次数: 0

摘要

研究表明,OsCl3 单层中的面内磁化产生的量子反常霍尔效应表现出由晶体对称性和磁性决定的不同电子拓扑相。在这种切尔绝缘体中,Os 原子形成了具有易平面铁磁性构型的二维平面蜂窝结构,并且根据系统的镜像对称性,在特定磁性方向上存在调整电子结构拓扑所需的非绝热路径。利用密度泛函理论(DFT)计算,我们通过改变磁矩的取向确定了这些可调相。我们认为,与降压系统相反,这里的 Cl 配体通过打破面内镜像对称性为系统带来了非三维拓扑结构。磁各向异性和电子带拓扑之间的相互作用改变了切尔数,从而改变了拓扑相。我们的 DFT 研究通过对相关对称性的全面分析以及使用通用紧密结合模型对拓扑相变的详细解释得到了证实。
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In-plane magnetization orientation driven topological phase transition in OsCl3 monolayer
The quantum anomalous Hall effect resulting from the in-plane magnetization in the OsCl3 monolayer is shown to exhibit different electronic topological phases determined by the crystal symmetries and magnetism. In this Chern insulator, the Os-atoms form a two dimensional planar honeycomb structure with an easy-plane ferromagnetic configuration and the required non-adiabatic paths to tune the topology of electronic structure exist for specific magnetic orientations based on mirror symmetries of the system. Using density functional theory (DFT) calculations, these tunable phases are identified by changing the orientation of the magnetic moments. We argue that in contrast to the buckled system, here the Cl-ligands bring non-trivial topology into the system by breaking the in-plane mirror symmetry. The interplay between the magnetic anisotropy and electronic band-topology changes the Chern number and hence the topological phases. Our DFT study is corroborated with comprehensive analysis of relevant symmetries as well as a detailed explanation of topological phase transitions using a generic tight binding model.
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来源期刊
CiteScore
3.70
自引率
11.50%
发文量
46
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