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

• Applicant: Dr. Junjie He
• Subject Area: Theoretical Condensed Matter Physics ; Theoretical Chemistry: Molecules, Materials, Surfaces
• Term: from 2020 to 2022
• Project identifier: Deutsche Forschungsgemeinschaft (DFG) - Project number 448002124

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.

• DFG Programme: Research Grants