Real-time (pseudo-)spin transport and dynamics in transition metal dichalcogenides (B09)

过渡金属二硫化物的实时（伪）自旋输运和动力学 (B09)

• 批准号: 397938296
• 金额: --
• 依托单位: Interdisciplinary Centre for Advanced Materials Simulations
• 依托单位国家: 德国
• 项目类别: CRC/Transregios
• 财政年份: 2018
• 资助国家: 德国
• 起止时间: 2017-12-31 至 2020-12-31
• 项目状态: 已结题
• 来源: https://gepris.dfg.de/gepris/projekt/397938296?language=en
• 关键词: Real; time; pseudo; spin; transport

We will perform computational studies of the ultrafast charge and spin dynamics in realistic, microscopic models of transition metal dichalcogenides (TMDCs) in contact to metal substrates, in order to unveil the interplay between strain, spin-orbit coupling, and an applied time-dependent field. We aim at engineering the depolarization time of electrons excited to specific valleys, a key milestone to develop valleytronics. We will investigate how spin-polarization can be dynamically transferred between the TMDC and the metal. Bridging length and time scales is necessary to understand these phenomena and requires the development of a new tool based on a real-time extension of density-functional tight-binding theory.

我们将在与金属衬底接触的过渡金属二硫族化合物（TMDCs）的现实微观模型中进行超快电荷和自旋动力学的计算研究，以揭示应变、自旋轨道耦合和应用时相关场之间的相互作用。我们的目标是设计电子激发到特定山谷的退极化时间，这是发展山谷电子学的关键里程碑。我们将研究自旋极化如何在TMDC和金属之间动态传递。桥接长度和时间尺度对于理解这些现象是必要的，并且需要开发一种基于密度函数紧密结合理论的实时扩展的新工具。