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arXiv 2309.03074cond-mat.mtrl-sci
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自旋-晶格耦合对skyrmion系统PdFe/Ir(111)动力学磁相互作用的微观效应

Microscopic effect of spin-lattice couplings on dynamical magnetic interactions of a skyrmion system PdFe/Ir(111)

Banasree Sadhukhan, Anders Bergman, Johan Hellsvik, Patrik Thunström, Anna Delin

AI总结:

本研究通过第一性原理计算揭示PdFe/Ir(111)中自旋-晶格耦合对动力学磁相互作用的微观效应,发现次近邻交换和Dzyaloshinskii-Moriya相互作用受SLC影响更大,为设计基于skyrmion热力学性质的自旋电子学器件提供指导。

摘要:

PdFe/Ir(111)由于在外加磁场下存在磁性skyrmion,引起了下一代自旋电子学器件的极大关注。我们的密度泛函理论计算结合自旋动力学模拟表明,在fcc堆叠的PdFe/Ir(111)中,自旋螺旋相在B_ext ~ 6 T附近翻转为skyrmion晶格相。这导致了对此skyrmion材料中由内在自旋-晶格耦合(SLCs)影响的热力学和动力学行为的微观理解,涉及磁-机械性质。在此,我们从第一性原理计算中计算了完全相对论的SLC参数,并研究了SLC对skyrmion多层膜PdFe/Ir(111)中动力学磁相互作用的影响。该材料中由次近邻(NN)产生的交换相互作用高度受挫,并负责增强skyrmion稳定性。我们报告了与最近在体心立方Fe和CrI3单层中观察到的自旋-晶格效应相比,次近邻的动力学海森堡交换和Dzyaloshinskii-Moriya相互作用具有更大的自旋-晶格效应。基于我们的分析,我们发现PdFe/Ir(111)的fcc(hcp)堆叠中SLC的有效度量对于最近邻和次近邻分别比体心立方Fe强约2.71(约2.36)倍和约14.71(约21.89)倍。SLC参数的位移线性范围为≤ 0.02 Å,这是PdFe/Ir(111)晶格常数的0.72%。我们当前研究提供的SLC微观理解有助于基于skyrmion多层膜热力学性质设计自旋电子学器件。

英文摘要:

PdFe/Ir(111) has attracted tremendous attention for next-generation spintronics devices due to existence of magnetic skyrmions with the external magnetic field. Our density functional theoretical calculations in combination with spin dynamics simulation suggest that the spin spiral phase in fcc stacked PdFe/Ir(111) flips into the skyrmion lattice phase around B$_{ext} \sim$ 6 T. This leads to the microscopic understanding of the thermodynamic and kinetic behaviours affected by the intrinsic spin-lattice couplings (SLCs) in this skyrmion material for magneto-mechanical properties. Here we calculate fully relativistic SLC parameters from first principle computations and investigate the effect of SLC on dynamical magnetic interactions in skyrmion multilayers PdFe/Ir(111). The exchange interactions arising from next nearest-neighbors (NN) in this material are highly frustrated and responsible for enhancing skyrmion stability. We report the larger spin-lattice effect on both dynamical Heisenberg exchanges and Dzyaloshinskii-Moriya interactions for next NN compared to NN which is in contrast with recently observed spin-lattice effect in bulk bcc Fe and CrI$_3$ monolayer. Based on our analysis, we find that the effective measures of SLCs in fcc (hcp) stacking of PdFe/Ir(111) are $\sim 2.71 ( \sim 2.36)$ and $\sim 14.71 ( \sim21.89)$ times stronger for NN and next NN respectively, compared to bcc Fe. The linear regime of displacement for SLC parameters is $\leq$ 0.02 Å which is 0.72\% of the lattice constant for PdFe/Ir(111). The microscopic understanding of SLCs provided by our current study could help in designing spintronic devices based on thermodynamic properties of skyrmion multilayers.

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