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Ab Initio Calculations of Spin-nonconserving Exciton-phonon Scattering in Monolayer Transition Metal Dichalcogenides by Zhang, Xiaowei; Cao, Ting is a scholarly article available to read on EtoBox.

What is Ab Initio Calculations of Spin-nonconserving Exciton-phonon Scattering in Monolayer Transition Metal Dichalcogenides about?

We investigate the spin-nonconserving relaxation channel of excitons by their couplings with phonons in two-dimensional transition metal dichalcogenides using $\textit{ab initio}$ approaches. Combining $\text{GW}$-Bethe-Salpeter equation method and density functional perturbation theory, we calculate the electron-phonon and exciton-phonon coupling matrix elements for the spin-flip scattering in monolayer WSe$_{\text{2}}$, and further analyze the microscopic mechanisms influencing these scattering strengths. We find that phonons could produce effective in-plane magnetic fields which flip spin of excitons, giving rise to relaxation channels complimentary to the spin-conserving relaxation. Finally, we calculate temperature-dependent spin-flip exciton-phonon relaxation times. Our method and analysis can be generalized to study other two-dimensional materials and would stimulate experimental measurements of spin-flip exciton relaxation dynamics.

Author

Zhang, Xiaowei; Cao, Ting

Published

2022

Language

EN