Skyrmions are widely regarded as promising candidates for emergent spintronic devices. Dzyaloshinskii–Moriya interaction (DMI) is often critical to the generation and manipulation of skyrmions. However, there is a fundamental lack of understanding of the origin of DMI or the mechanism by which DMI generates skyrmions in magnetic bilayers. Very little is known of the material parameters that determine the value of DMI. This knowledge is vital for rational design of skyrmion materials and further development of skyrmion technology. To address this important problem, we investigate DMI in magnetic bilayers using first principles. We present a new theoretical model that explains the microscopic origin of DMI in magnetic bilayers. We demonstrate that DMI depends on two parameters, interfacial hybridization and orbital contributions of the heavy metal. Using these parameters, we explain the trend of DMI observed. We also report four new materials systems with giant DMI and new designs for magnetic multilayers that are expected to outperform the best materials known so far. Our results present a notably new understanding of DMI, uncover highly promising materials and put forth pathways for the controlled generation of skyrmions.

Skyrmion被广泛认为是新兴自旋电子器件的有前途的候选者。Dzyaloshinskii-Moriya交互作用（DMI）通常对于天体离子的产生和操纵至关重要。但是，根本缺乏对DMI的起源或DMI在磁性双层中产生天空离子的机理的了解。决定DMI值的材料参数知之甚少。这些知识对于合理设计天rm子材料和进一步发展天rm子技术至关重要。为了解决这个重要问题，我们使用第一原理研究了磁性双层中的DMI。我们提出了一个新的理论模型，解释了磁性双层中DMI的微观起源。我们证明DMI取决于两个参数，界面杂交和重金属的轨道贡献。使用这些参数，我们可以解释观察到的DMI趋势。我们还报告了四个具有巨大DMI的新材料系统和用于磁性多层的新设计，这些新材料有望超越迄今为止已知的最佳材料。我们的结果提出了对DMI的新认识，发现了很有前途的材料，并提出了可控制的天敌离子生成途径。