论文标题
通过原子层取代，在2D过渡金属磷脂中定制自旋波
Tailoring spin waves in 2D transition metal phosphorus trichalcogenides via atomic-layer substitution
论文作者
论文摘要
二维（2D）范德华过渡金属磷元素源的家族由于其固有的2D抗铁磁性而引起了新的兴趣，这证明它们是单层限制的旋转和镁质的前所未有且高度可调的构件。以下是在Janus过渡金属二分法中证明的原子化替代潜力的激励，我们研究了基于MNPS $ _3 $和NIPS $ _3 $的晶体，电子和磁性结构的晶体，电子和磁性结构。此外，我们计算磁杆分散剂并执行实时真实空间原子动态模拟，以探索MNPS $ _3 $，NIPS $ _3 $，MNPS $ _ {1.5} $ se $ se $ _ {1.5} $ {1.5} $和Nips $ _ {1.5} $ _ {1.5} $ se $ se $ _5} $ _5}的传播旋转波的传播。我们的计算预测了磁各向异性的急剧增强和大型dzyaloshinskii-moriya相互作用的出现，这是由2d Janus层中诱导的倒反转对称性引起的。这些结果为Janus 2D过渡金属磷脂的发展铺平了道路，并突出了它们在宏伟应用中的潜力。
The family of two-dimensional (2D) van der Waals transition metal phosphorus trichalcogenides has received a renewed interest due to their intrinsic 2D antiferromagnetism, which proves them as unprecedented and highly tunable building blocks for spintronics and magnonics at the single-layer limit. Herein, motivated by the exciting potential of atomic-substitution demonstrated in Janus transition metal dichalcogenides, we investigate the crystal, electronic and magnetic structure of selenized Janus monolayers based on MnPS$_3$ and NiPS$_3$ from first-principles. In addition, we calculate the magnon dispersion and perform real-time real-space atomistic dynamic simulations to explore the propagation of spin waves in MnPS$_3$, NiPS$_3$, MnPS$_{1.5}$Se$_{1.5}$ and NiPS$_{1.5}$Se$_{1.5}$. Our calculations predict a drastic enhancement of magnetic anisotropy and the emergence of large Dzyaloshinskii-Moriya interactions, which arises from the induced broken inversion symmetry in the 2D Janus layers. These results pave the way to the development of Janus 2D transition metal phosphorus trichalcogenides and highlight their potential for magnonic applications.
