Exciton lifetime and optical linewidth profile via exciton-phonon interactions: Theory and first-principles calculations for monolayer MoS2

Y.-H. Chan; Jonah B. Haber; Mit H. Naik; J. B. Neaton; Diana Y. Qiu; Felipe H. da Jornada; Steven G. Louie

doi:10.1126/sciadv.abb5915

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Computational DFTComputational MultiscaleTheoretical

Exciton lifetime and optical linewidth profile via exciton-phonon interactions: Theory and first-principles calculations for monolayer MoS₂

Y.-H. Chan, Jonah B. Haber, Mit H. Naik, J. B. Neaton et al.

arXiv·2022·10.1126/sciadv.abb5915·arXiv:2212.08451

Samples

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Monolayer MoS₂ simulated for GW-BSE exciton dispersion, relaxation, and optical linewidth calculations.

2 properties

Simulated Supercell DftMoS₂Studied Material

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