论文标题
基于Ni的Janus Dihalide单层中的Skyrmion组：磁挫败与Dzyaloshinskii-Moriya相互作用之间的相互作用
Skyrmion formation in Ni-based Janus dihalide monolayers: Interplay between magnetic frustration and Dzyaloshinskii-Moriya interaction
论文作者
论文摘要
我们通过第一原理计算和原子模拟的组合，基于单层镍的Janus Dihalides（Niibr，Niicl，NIBIRCL）介绍了磁相的综合理论。声子条带结构计算和有限温度分子动力学模拟表明Ni-dihalide Janus单层是稳定的。从从头算计算中提取的相互作用的自旋汉密尔顿的参数表明，镍 - 荷利德janus单层单层具有不同程度的磁性挫败感以及大型的Dzyaloshinskii-Moriya相互作用，因为它们固有的反转对称对称性破裂。原子模拟揭示了这两种竞争磁相互作用之间的微妙相互作用，从而导致天空形成。
We present a comprehensive theory of the magnetic phases in monolayer nickel-based Janus dihalides (NiIBr, NiICl, NiBrCl) through a combination of first-principles calculations and atomistic simulations. Phonon band structure calculations and finite temperature molecular dynamics simulations show that Ni-dihalide Janus monolayers are stable. The parameters of the interacting spin Hamiltonian extracted from ab initio calculations show that nickel-dihalide Janus monolayers exhibit varying degrees of magnetic frustration together with a large Dzyaloshinskii-Moriya interaction due to their inherent inversion symmetry breaking. The atomistic simulations reveal a delicate interplay between these two competing magnetic interactions in giving rise to skyrmion formation.
