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Table · dataset · 2026

Valley Zeeman Splitting-Enhanced Spin-Forbidden Dark Exciton Formation in Magnetically V‑Doped WSe<sub>2</sub> Monolayer and WSe<sub>2</sub>/MoSe<sub>2</sub> Heterostructure

Listed in ZivaHub and Deakin Research Online and DMU Figshare and HKU DataHub and Swinburne Figshare and DaYta Ya Rona and SUNScholarData and figshare and Loughborough Research Repository and GRANTS Data and UP Research Data Repository — shown once because both records carry DOI 10.1021/jacs.6c11560.s002

Spin-forbidden dark excitons are promising for optoelectronic devices due to the significantly extended lifetimes.

Description

Although their formation mechanism in monolayer MoS<sub>2</sub> has been theoretically revealed, time-reversal symmetry intrinsically protects valley degeneracy, imposing a fundamental limit on the formation efficiency. However, effective strategies to overcome this limitation remain unclear.

Here, the photoexcitation and relaxation dynamics in the WSe<sub>2</sub> monolayer and WSe<sub>2</sub>/MoSe<sub>2</sub> heterostructure are investigated through nonadiabatic molecular dynamics combined with light–matter interaction and the GW plus real-time Bethe–Salpeter equation. We discover that although many-body interactions, including electron–phonon coupling, electron–hole Coulomb and exchange interactions, and spin–orbit interaction, synergistically drive spin-forbidden dark exciton formation, inherent valley degeneracy restricts the formation efficiency to ∼50%.

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To overcome this limitation, magnetic vanadium doping is introduced to induce an internal magnetic exchange field that breaks time-reversal symmetry, causing a massive valley Zeeman splitting (>100 meV). This effectively suppresses the competing exciton relaxation channels, enhancing the spin-forbidden dark exciton generation efficiency to 98% in the WSe<sub>2</sub> monolayer and 85% in the WSe<sub>2</sub>/MoSe<sub>2</sub> heterostructure.

This intrinsic magnetic doping strategy is crucial for lifting valley degeneracy and enhancing spin-forbidden dark exciton formation, providing a foundation for optoelectronic devices based on long-lived dark excitons.

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Provenance · 11 source records, 122 field assertions
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ZivaHuboai:figshare.com:article/3403213912 d agoJSON v1
Deakin Research Onlineoai:figshare.com:article/3403213912 d agoJSON v1
DMU Figshareoai:figshare.com:article/3403213912 d agoJSON v1
HKU DataHuboai:figshare.com:article/3403213912 d agoJSON v1
Swinburne Figshareoai:figshare.com:article/3403213912 d agoJSON v1
DaYta Ya Ronaoai:figshare.com:article/3403213912 d agoJSON v1
SUNScholarDataoai:figshare.com:article/3403213912 d agoJSON v1
figshareoai:figshare.com:article/3403213911 d agoJSON v1
Loughborough Research Repositoryoai:figshare.com:article/3403213911 d agoJSON v1
GRANTS Dataoai:figshare.com:article/3403213911 d agoJSON v1
UP Research Data Repositoryoai:figshare.com:article/3403213911 d agoJSON v1
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