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感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秩序的2D材料中的磁性天际和反孔m，超越了对DMI的通常重点，以稳定这些结构。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性原子旋转模拟，包括最近的邻居和HOI以外的交换相互作用。从这些数万个模拟中，我们提取了零视野和低于10 nm的天空和反对者的能量屏障，从而得出了数据驱动的磁性材料设计的参数标准。在项目的第二部分中，我们将高通量DFT计算应用于过渡金属的超薄薄膜组合以及Van-der-Waals异质结构，以供其托管技术相关的天际和反对者敏化。第一步，材料组合将被其基本磁性特性（例如磁矩尺寸和共线磁状态的能量）过滤。对于合适的材料，磁晶对跨各向异性，将在随后的步骤中确定最近的邻居和HOI参数以外的交换相互作用。满足项目第一部分参数标准的有希望的候选人将通过原子模拟进行更详细的研究，并预测为新型的Skyrmion和Antiskyrmion宿主材料。