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

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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.