论文标题
在2D van der Waals层的磁铁中，一阶和二阶磁光效应和本质上的异常转运CRXY（x = s，se，te; y = cl，br，i）
The first- and second-order magneto-optical effects and intrinsically anomalous transport in 2D van der Waals layered magnets CrXY (X = S, Se, Te; Y = Cl, Br, I)
论文作者
论文摘要
最近，二维磁性半导体CRSBR由于其出色的空气稳定特性和高磁临界温度而引起了很大的关注。 Here, we systematically investigate the electronic structure, magnetocrystalline anisotropy energy, first-order magneto-optical effects (Kerr and Faraday effects) and second-order magneto-optical effects (Schafer-Hubert and Voigt effects) as well as intrinsically anomalous transport properties (anomalous Hall, anomalous Nernst, and anomalous thermal Hall effects) of two-dimensional van der Waals通过使用第一原理计算，分层的磁铁CRXY（X = S，SE，TE； Y = Cl，Br，I）。我们的结果表明，单层和双层CRXY（X = S，SE）是狭窄的带隙半导体，而单层和双层crtey是多波段金属。通过磁晶对晶型偏度能量计算，确认了双层CRXY的磁接地状态以及单层和双层CRXY的易于磁化轴。利用磁组理论分析，一阶磁光效应以及异常大厅，异常的Nernst和异常的热室效应在铁磁状态下存在，并具有非平面磁化。二阶磁光效应不受上述对称要求的限制，因此可以在具有面内磁化的铁磁和抗铁磁态中出现。将计算的结果与其他二维磁铁和一些常规铁磁体的可用理论和实验数据进行了比较。目前的工作表明，单层和双层CRXY具有优质的磁光响应和异常的传输特性为磁光能设备，旋转型和旋转热量的磁性设备的有前途应用提供了出色的材料平台。
Recently, the two-dimensional magnetic semiconductor CrSBr has attracted considerable attention due to its excellent air-stable property and high magnetic critical temperature. Here, we systematically investigate the electronic structure, magnetocrystalline anisotropy energy, first-order magneto-optical effects (Kerr and Faraday effects) and second-order magneto-optical effects (Schafer-Hubert and Voigt effects) as well as intrinsically anomalous transport properties (anomalous Hall, anomalous Nernst, and anomalous thermal Hall effects) of two-dimensional van der Waals layered magnets CrXY (X = S, Se, Te; Y = Cl, Br, I) by using the first-principles calculations. Our results show that monolayer and bilayer CrXY (X = S, Se) are narrow band gap semiconductors, whereas monolayer and bilayer CrTeY are multi-band metals. The magnetic ground states of bilayer CrXY and the easy magnetization axis of monolayer and bilayer CrXY are confirmed by the magnetocrystalline anisotropy energy calculations. Utilizing magnetic group theory analysis, the first-order magneto-optical effects as well as anomalous Hall, anomalous Nernst, and anomalous thermal Hall effects are identified to exist in ferromagnetic state with out-of-plane magnetization. The second-order magneto-optical effects are not restricted by the above symmetry requirements, and therefore can arise in ferromagnetic and antiferromagnetic states with in-plane magnetization. The calculated results are compared with the available theoretical and experimental data of other two-dimensional magnets and some conventional ferromagnets. The present work reveals that monolayer and bilayer CrXY with superior magneto-optical responses and anomalous transport properties provide an excellent material platform for the promising applications of magneto-optical devices, spintronics, and spin caloritronics.
