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We investigate the spin-nonconserving relaxation channel of excitons by theircouplings with phonons in two-dimensional transition metal dichalcogenidesusing $\textit{ab initio}$ approaches. Combining $\text{GW}$-Bethe-Salpeterequation method and density functional perturbation theory, we calculate theelectron-phonon and exciton-phonon coupling matrix elements for the spin-flipscattering in monolayer WSe$_{\text{2}}$, and further analyze the microscopicmechanisms influencing these scattering strengths. We find that phonons couldproduce effective in-plane magnetic fields which flip spin of excitons, givingrise to relaxation channels complimentary to the spin-conserving relaxation.Finally, we calculate temperature-dependent spin-flip exciton-phonon relaxationtimes. Our method and analysis can be generalized to study othertwo-dimensional materials and would stimulate experimental measurements ofspin-flip exciton relaxation dynamics.

Ab initio calculations of spin-nonconserving exciton-phonon scattering in monolayer transition metal dichalcogenides