论文标题

原型磁系统中的勘探手性多站点相互作用

Prospecting chiral multi-site interactions in prototypical magnetic systems

论文作者

Brinker, Sascha, Dias, Manuel dos Santos, Lounis, Samir

论文摘要

原子自旋模型在解决磁性材料的特性方面发现了巨大的成功,这是基于相关潜在磁相互作用的识别。磁空和其他非结合磁性结构领域的巨大发展很大程度上是由于我们对手性dzyaloshinskii-moriya相互作用的理解。最近,各种作品提出了新型的手性互动,其形式看似不同,但大局仍然缺失。在这里,我们介绍了包含各向同性和手性多站点相互作用的广义自旋模型的系统结构。这些是由一个微观模型的动机,该模型结合了局部自旋矩和自旋轨道相互作用,并建立了它们的对称特性。我们表明,手性相互作用仅来自自旋轨道的相互作用,而多站点相互作用不必遵循莫里亚的规则,这与dzyaloshinskii-moriya和手性生物相互作用不同。手性多站点相互作用由于反转对称而不会消失,并且符合广义的莫里亚规则:如果通过相互作用连接的所有位点都在同一镜面平面上,则手性相互作用矢量必须垂直于该平面。然后,我们用原型磁系统的密度功能理论计算来说明我们的理论考虑。这些是由Cr,Mn,Fe和Co Atatom构建的三角形三聚体(0001),PT(111)和AU(111)表面,适用于$ C_ \ Mathrm {3V} $对称性,以及PT(001)上的CR和Fe Square Tetramers,带有$ c_ c_ \ Mathrms cons of pt(001)。多站点相互作用的大小很大,在比较不同磁性结构的能量时不能忽略。最后,根据我们的发现,我们讨论了最近的文献,并阐明了一些不清楚或令人困惑的观点。

Atomistic spin models have found enormous success in addressing the properties of magnetic materials, grounded on the identification of the relevant underlying magnetic interactions. The huge development in the field of magnetic skyrmions and other noncollinear magnetic structures is largely due to our understanding of the chiral Dzyaloshinskii-Moriya interaction. Recently, various works have proposed new types of chiral interactions, with seemingly different forms, but the big picture is still missing. Here, we present a systematic construction of a generalized spin model containing isotropic and chiral multi-site interactions. These are motivated by a microscopic model that incorporates local spin moments and the spin-orbit interaction, and their symmetry properties are established. We show that the chiral interactions arise solely from the spin-orbit interaction and that the multi-site interactions do not have to follow Moriya's rules, unlike the Dzyaloshinskii-Moriya and chiral biquadratic interactions. The chiral multi-site interactions do not vanish due to inversion symmetry, and comply with a generalized Moriya rule: If all sites connected by the interaction lie in the same mirror plane, the chiral interaction vector must be perpendicular to this plane. We then illustrate our theoretical considerations with density functional theory calculations for prototypical magnetic systems. These are triangular trimers built out of Cr, Mn, Fe and Co adatoms on the Re(0001), Pt(111) and Au(111) surfaces, for which $C_\mathrm{3v}$ symmetry applies, and Cr and Fe square tetramers on Pt(001) with $C_\mathrm{4v}$ symmetry. The multi-site interactions are substantial in magnitude and cannot be neglected when comparing the energy of different magnetic structures. Finally, we discuss the recent literature in light of our findings, and clarify several unclear or confusing points.

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