This talk will show our recent theoretical and computational studies of new exciton physics in monolayer transition metal dichalcogenides. By developing a first-principle method based on many-body perturbation theories, we find that the photoelectrons from excitons hold unique energy dispersions and spectra weights, which unveil the fundamental physical properties of the excitons. The theoretical findings agree well with the experimentally measured pump-probe photoemission spectra of excitons in monolayer WSe2 (Science 370, 1199 (2020) and Science Advances 7, eabg0192 (2021)). We then demonstrate a valley- and spin-selective excitonic energy relaxation pathway, which leads to novel ultrafast dynamics in monolayer transition metal dichalcogenides. We further connect our theoretical discoveries to experimental results and explore their potential applications.
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