Beyond the K-valley: exploring unique trion states in indirect band gap monolayer WSe2
Abstract We calculate the optical properties of monolayer WSe2 using ab initio many-body screened configuration interaction. For this indirect band gap material we describe additional species of negatively charged trions involving the Q-valley which are energetically more favorable than those formed...
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| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
Nature Portfolio
2025-02-01
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| Series: | npj 2D Materials and Applications |
| Online Access: | https://doi.org/10.1038/s41699-025-00532-w |
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| Summary: | Abstract We calculate the optical properties of monolayer WSe2 using ab initio many-body screened configuration interaction. For this indirect band gap material we describe additional species of negatively charged trions involving the Q-valley which are energetically more favorable than those formed at the K-valley. While the results are in excellent agreement with experimental data, they shed new light on observed but yet unaddressed optical features. The analysis of the many-body interactions reveals mechanisms behind increased singlet-triplet splitting and redshifted energies in these Q-valley trions, compared to K-valley trions. |
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| ISSN: | 2397-7132 |