Influence of Interlayer Stacking on Optical Behavior in WSe$_{2}$/MoS$_{2}$ van der Waals Heterostructures
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| Main Authors: | , , , , , |
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| Format: | Preprint |
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2025
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| _version_ | 1866915355488681984 |
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| author | Louafi, Widad Rezouali, Karim Varsano, Daniele Palummo, Maurizia Haverkort, Maurits W. Lounis, Samir |
| author_facet | Louafi, Widad Rezouali, Karim Varsano, Daniele Palummo, Maurizia Haverkort, Maurits W. Lounis, Samir |
| contents | We investigate the impact of crystal alignment on excitonic behavior in WSe$_{2}$/MoS$_{2}$ van der Waals heterostructures by comparing eclipsed (AA) and staggered (AB) stacking configurations. Our first-principles and symmetry-based analysis reveal that interlayer stacking symmetry plays a central role in determining the nature of electron-hole pairs. We uncover a rich variety of excitonic states, including spatially confined two-dimensional (2D) excitons, delocalized three-dimensional (3D) excitons, and charge-transfer (CT) excitons with interlayer character. The dimensionality and optical activity of these excitons are governed by the interplay among orbital character, interlayer hybridization, and symmetry-imposed selection rules. Our findings establish general principles for engineering excitonic properties in van der Waals heterostructures through controlled layer orientation and stacking order. |
| format | Preprint |
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arxiv_https___arxiv_org_abs_2506_18607 |
| institution | arXiv |
| publishDate | 2025 |
| record_format | arxiv |
| spellingShingle | Influence of Interlayer Stacking on Optical Behavior in WSe$_{2}$/MoS$_{2}$ van der Waals Heterostructures Louafi, Widad Rezouali, Karim Varsano, Daniele Palummo, Maurizia Haverkort, Maurits W. Lounis, Samir Strongly Correlated Electrons We investigate the impact of crystal alignment on excitonic behavior in WSe$_{2}$/MoS$_{2}$ van der Waals heterostructures by comparing eclipsed (AA) and staggered (AB) stacking configurations. Our first-principles and symmetry-based analysis reveal that interlayer stacking symmetry plays a central role in determining the nature of electron-hole pairs. We uncover a rich variety of excitonic states, including spatially confined two-dimensional (2D) excitons, delocalized three-dimensional (3D) excitons, and charge-transfer (CT) excitons with interlayer character. The dimensionality and optical activity of these excitons are governed by the interplay among orbital character, interlayer hybridization, and symmetry-imposed selection rules. Our findings establish general principles for engineering excitonic properties in van der Waals heterostructures through controlled layer orientation and stacking order. |
| title | Influence of Interlayer Stacking on Optical Behavior in WSe$_{2}$/MoS$_{2}$ van der Waals Heterostructures |
| topic | Strongly Correlated Electrons |
| url | https://arxiv.org/abs/2506.18607 |