Tailoring of exchange frustration and higher order exchange for the optimization of magnetic skyrmions and antiskyrmions

用于优化磁斯格明子和反斯格明子的交换挫败和高阶交换的剪裁

• 批准号: 523127890
• 负责人: Dr. Stephan von Malottki
• 金额: --
• 依托单位: Thayer School of Engineering
• 依托单位国家: 德国
• 项目类别: WBP Fellowship
• 财政年份: 2023
• 资助国家: 德国
• 起止时间: 2022-12-31 至 无数据
• 项目状态: 未结题
• 来源: https://gepris.dfg.de/gepris/projekt/523127890?language=en
• 关键词: Tailoring; exchange; frustration; higher; order

Here we explore the possibilities and limitations of exchange frustration and higher order exchange interactions (HOI) to stabilize magnetic skyrmions and antiskyrmions in 2D materials with ferromagnetic and antiferromagnetic ordering, going beyond the usual focus on DMI to stabilize these structures. First, we perform large scale automatised atomistic spin simulations on the entire parameters space of the infamous extended Heisenberg model, including exchange interactions beyond nearest neighbours and HOI. From these tens of thousands of simulations we extract the energy barriers of zero-field and sub-10 nm skyrmions and antiskyrmions, resulting in parameter criteria for data-driven magnetic material design. In the second part of the project, we apply high-throughput DFT computations to scan ultrathin film combinations of transition metals as well as Van-der-Waals heterostructures for their ability to host technological relevant skyrmions and antiskyrmions. In a first step, the material combinations will be filtered by their basic magnetic properties such as magnetic moment sizes and the energies of collinear magnetic states. For suited materials, the magnetocrystalline anisotropy, exchange interactions beyond nearest neighbours and HOI parameters will be determined in subsequent steps. Promising candidates that fulfill the parameter criteria obtained in the first part of the project will be investigated in more detail by atomistic simulations and predicted as novel skyrmion and antiskyrmion hosting materials.

在这里，我们探讨了交换挫败和高阶交换相互作用（HOI）的可能性和局限性，以稳定具有铁磁和反铁磁有序的二维材料中的磁性斯格明子和反斯格明子，超越了通常关注的 DMI 来稳定这些结构。首先，我们对臭名昭著的扩展海森堡模型的整个参数空间进行大规模自动化原子自旋模拟，包括最近邻和 HOI 之外的交换相互作用。从这数以万计的模拟中，我们提取了零场和亚 10 nm 斯格明子和反斯格明子的能垒，从而得出数据驱动的磁性材料设计的参数标准。在该项目的第二部分，我们应用高通量 DFT 计算来扫描过渡金属的超薄膜组合以及范德华异质结构，以了解它们承载技术相关的斯格明子和反斯格明子的能力。第一步，材料组合将通过其基本磁特性（例如磁矩大小和共线磁态能量）进行过滤。对于合适的材料，磁晶各向异性、最近邻之外的交换相互作用和 HOI 参数将在后续步骤中确定。满足项目第一部分中获得的参数标准的有前途的候选者将通过原子模拟进行更详细的研究，并预测为新型斯格明子和反斯格明子宿主材料。