Fig. 1

TDDFT simulation of the spin-phonon dynamics of monolayer MoS₂. a The initial electronic configuration used here with one electron excited at the K valley, for example, by right-handed light. b Top view of the solid and a side view of the eigenvectors of the four zone-center optical phonons. c The time trace of the spin vector of the CBM electron with the E″ phonon being coherently excited. d–f The same time profiles of the Cartesian components of the spin with each of the phonon modes E″, E′, A₁, A₂″ and with the frozen lattice. The full phonon dispersion is given in Supplementary Fig. 1. Here, all phonons are linearly polarized along the y direction