Sadecka, Katarzyna and Bieniek, Maciej and Faria Junior, Paulo E. and Wojs, Arkadiusz and Hawrylak, Pawel and Pawlowski, Jaroslaw (2025) Electrically tunable MoSe2/WSe2 heterostructure-based quantum dot. PHYSICAL REVIEW B, 111 (11): 115421. ISSN 2469-9950, 2469-9969
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We describe here a theory of a quantum dot in an electrically tunable MoSe2/WSe2 heterostructure. van der Waals heterostructures allow for tuning their electronic properties beyond their monolayer counterparts. We start by determining their electronic structure using density functional theory. We obtain the type-II band alignment and close in energy conduction band minima (valleys) at the K and Q points in the Brillouin zone. The valence band maxima, also energetically close, are located at the K and P points. By analyzing the Kohn-Sham wave functions, we describe the layer, spin, and orbital contributions. Next, we construct an ab initio-based tight- binding model, which helps us to better understand the complexity of the interlayer interactions. We determine the effect of a vertical electric field, showing that vertical gating enables control of valleys' extrema and their occupancy. Finally, we employ the tight-binding model to investigate laterally gated quantum dots and analyze the influence of a perpendicular electric field on their energy spectrum. Our results demonstrate that tuning the electric field enables control over the valley character of the quantum dot states, selectively localizing them in either the K or Q valleys, as evidenced by their characteristic degeneracies and wave functions.
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | TRANSITION-METAL DICHALCOGENIDES; ATOMIC SCREENING CONSTANTS; INTERLAYER EXCITONS; ELECTRONIC-STRUCTURE; POLARIZATION; MONOLAYERS; DYNAMICS; GAS |
| Subjects: | 500 Science > 530 Physics |
| Divisions: | Physics > Institute of Theroretical Physics |
| Depositing User: | Dr. Gernot Deinzer |
| Date Deposited: | 15 Jul 2026 09:07 |
| Last Modified: | 15 Jul 2026 09:07 |
| URI: | https://pred.uni-regensburg.de/id/eprint/67315 |
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