First-principles modelling of spin transfer and magnetism at photo-excited two-dimensional magnets and van der Waals heterostructures

光激发二维磁体和范德华异质结构的自旋转移和磁性的第一原理建模

• 批准号: 448002124
• 负责人: Dr. Junjie He
• 金额: --
• 依托单位: Bremen Center for Computational Materials Science (BCCMS)
• 依托单位国家: 德国
• 项目类别: Research Grants
• 财政年份: 2020
• 资助国家: 德国
• 起止时间: 2019-12-31 至 2021-12-31
• 项目状态: 已结题
• 来源: https://gepris.dfg.de/gepris/projekt/448002124?language=en
• 关键词: First; principles; modelling; spin; transfer

The recent discovery of two-dimensional (2D) magnets and the related van der Waals (vdW) heterostructures has generated a great deal of excitement over their potential for manipulation of spin or magnetism at the atomistic scale. Optically driving 2D magnetic and vdW heterostructures offer the possibility of ultrafast and noncontact tunability for exploring new physics and spintronic applications. The aim of the project is to unravel the microscopic mechanisms of photo-induced interlayer spin transfer, and explore ultrafast optical control magnetic properties in a large variety of 2D magnets and vdW heterostructures based on real-time time-dependent density functional theory. The ground-state properties of 2D magnets and vdW heterostructures, including structure, electronic, magnetic and optical properties will firstly be investigated. Then, we will develop a fundamental understanding for the interlayer ultrafast spin-dependent charge transfer process in photo-excited vdW-coupled magnetic interface with specific focus on the role of magnetic order and of spin-orbital coupling. In parallel, we will explore ultrafast light-induced switching of magnetization direction and interlayer magnetic coupling between ferromagnetic and antiferromagnetic states in some selected magnetic vdW system. Furthermore, the influence of stacking order through rotation and translation between the layers on the light-induced dynamics of 2D magnets and vdW heterostructures will be examined in particular.

最近发现的二维（2D）磁铁和相关的货车德瓦尔斯（vdW）异质结构产生了很大的兴奋，他们的潜在操纵自旋或磁性在原子尺度。光学驱动二维磁性和vdW异质结构为探索新物理和自旋电子学应用提供了超快和非接触可调谐性的可能性。该项目的目的是揭示光诱导层间自旋转移的微观机制，并基于实时含时密度泛函理论探索各种2D磁体和vdW异质结构中的超快光控磁性。本文首先研究二维磁体和vdW异质结的基态性质，包括结构、电子、磁性和光学性质。然后，我们将对光激发vdW耦合磁性界面中的层间超快自旋相关电荷转移过程有一个基本的了解，特别关注磁序和自旋轨道耦合的作用。与此同时，我们将探讨在一些选定的磁性vdW系统的超快光诱导磁化方向和铁磁和反铁磁状态之间的层间磁耦合的开关。此外，通过旋转和层之间的平移的2D磁体和VDW异质结构的光致动力学的堆叠顺序的影响将特别检查。