Chen Zheng, Hu Hongliang, Feng Dushuo, Guan Zhihao, Zhong Tingting, Wu Xiaoping, Song Changsheng
Key Laboratory of Optical Field Manipulation of Zhejiang Province, Department of Physics, Zhejiang Sci-Tech University, Hangzhou 310018, China.
Longgang Institute of Zhejiang Sci-Tech University, Wenzhou 325802, China.
Phys Chem Chem Phys. 2024 Mar 13;26(11):8623-8630. doi: 10.1039/d3cp05744e.
Using first-principles calculations and micro-magnetic simulations, we investigate the electronic structures, the effect of biaxial strain on the topological characteristics, magnetic anisotropy energy (MAE), Dzyaloshinskii-Moriya interaction (DMI) and spin textures in the Janus 1T phase VTeCl (1T-VTeCl) monolayer. Our results show that 1T-VTeCl has an intrinsic edge state, and a topological phase transition with a sizeable band gap is achieved by applying biaxial strain. Interestingly, the MAE can be switched from the in-plane to the off-plane with a compressive strain of -5%. Microscopically, the origin of MAE is mainly associated with the large spin-orbit coupling (SOC) from the heavy nonmagnetic Te atoms rather than that from the V atoms. Furthermore, the induced DMI (0.09 meV) can occur stabilizing magnetic merons without applying temperatures and magnetic fields. Then, the skyrmions, frustrated antiferromagnetism and vortex are induced after applying a suitable compressive strain. Our study provides compelling evidence that the 1T-VTeCl monolayer with topological properties holds great potential for application in spintronic devices, as well as information storage devices based on different magnetic phases achievable through strain engineering.
利用第一性原理计算和微磁模拟，我们研究了Janus 1T相VTeCl（1T-VTeCl）单层中的电子结构、双轴应变对拓扑特性、磁各向异性能量（MAE）、Dzyaloshinskii-Moriya相互作用（DMI）和自旋纹理的影响。我们的结果表明，1T-VTeCl具有本征边缘态，并且通过施加双轴应变可实现具有可观带隙的拓扑相变。有趣的是，在-5%的压缩应变下，MAE可以从面内切换到面外。微观上，MAE的起源主要与重的非磁性Te原子的大自旋轨道耦合（SOC）有关，而不是与V原子的自旋轨道耦合有关。此外，在不施加温度和磁场的情况下，诱导的DMI（0.09 meV）可以出现并稳定磁单极子。然后，在施加适当的压缩应变后，会诱导出斯格明子、受挫反铁磁性和涡旋。我们的研究提供了令人信服的证据，表明具有拓扑性质的1T-VTeCl单层在自旋电子器件以及基于通过应变工程可实现的不同磁相的信息存储器件中具有巨大的应用潜力。
