标题： 应变和关联调制的磁各向异性以及二维H-FeTe中的Dzyaloshinskii--Moriya相互作用$_2$ 显示英文标题

标题： Strain and Correlation Modulated Magnetic Anisotropy and Dzyaloshinskii--Moriya Interaction in 2D H-FeTe$_2$

摘要： 在对具有强内在Dzyaloshinskii-Moriya相互作用（DMI）的二维（2D）铁磁材料的持续研究中，大多数努力都集中在掺杂、Janus工程或异质结构形成上，以打破反演对称性并增强自旋-轨道耦合（SOC）。 在这里，我们证明了一种原始的二维材料，单层H-FeTe$_2$，由于其内在的反演对称性破缺和Te原子的强SOC，可以自然地承载稳健的DMI和磁各向异性。 我们使用第一性原理DFT+$U$计算研究了双轴应变和电子关联对H-FeTe$_2$的影响。 我们在应变和关联所跨越的空间中系统地研究了海森堡交换相互作用、磁各向异性和DMI。 我们的结果揭示了磁各向异性能（MAE）和DMI的显著非单调应变依赖性，包括平面内和垂直平面磁易轴之间的应变可调交叉。 在应变和强关联的共同影响下，观察到平面内DMI的显著增强，这对于原始的二维材料来说是不寻常的，并表明了有利于自旋电子学应用的有利区域。值得注意的是，即使在没有应变的情况下，H-FeTe$_2$也表现出有限的DMI和相当大的各向异性，这对于纯二维材料来说是罕见的。 通过这些发现，我们将H-FeTe$_2$作为具有稳健且可调自旋相互作用的独特原始二维系统，用于探索基本的自旋-轨道驱动的磁现象。 显示英文摘要

摘要： In the ongoing research on two-dimensional (2D) ferromagnetic materials with strong intrinsic Dzyaloshinskii--Moriya interaction (DMI), most efforts have focused on doping, Janus engineering, or heterostructure formation to break inversion symmetry and enhance spin--orbit coupling (SOC). Here, we demonstrate that a pristine 2D material, monolayer H-FeTe$_2$, can naturally host robust DMI and magnetic anisotropy due to its intrinsic broken inversion symmetry and the strong SOC of Te atoms. We explore the effect of biaxial strain and electron correlation on H-FeTe$_2$ using first-principles DFT+$U$ calculations. We systematically investigate the Heisenberg exchange interaction, magnetic anisotropy, and DMI in the space spanned by strain and correlation. Our results reveal a distinct, non-monotonic strain dependence of both magnetic anisotropy energy (MAE) and DMI, including a strain-tunable crossover between in-plane and out-of-plane magnetic easy axes. A remarkable enhancement of the in-plane DMI is observed under the combined influence of strain and strong correlations, which is unusual for pristine 2D materials and suggests a favorable regime for spintronic applications.Notably, even in the absence of strain, H-FeTe$_2$ exhibits finite DMI and considerable anisotropy, which is rare for a pure 2D material. Through these findings, we present H-FeTe$_2$ as a unique pristine 2D system with robust and tunable spin interactions for exploring fundamental spin--orbit-driven magnetic phenomena.