Origin of moiré potentials in <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"> <mml:mrow> <mml:msub> <mml:mi>WS</mml:mi> <mml:mn>2</mml:mn> </mml:msub> <mml:mo>/</mml:mo> <mml:msub> <mml:mi>WSe</mml:mi> <mml:mn>2</mml:mn> </mml:msub> </mml:m

Moiré superlattices formed in WS$_2$/WSe$_2$ heterobilayers have emerged as an exciting platform to explore the quantum many-body physics. The key mechanism is the introduction of moiré potentials for the band-edge carriers induced by the lateral modulation of interlayer interactions. This trapping potential results in the formation of flat bands, which enhances the strong correlation effect. However, a full understanding of the origin of this intriguing potential remains elusive. In this paper, we present a comprehensive investigation of the origin of moiré potentials in both R-type and H-type moiré patterns formed in WS$_2$/WSe$_2$ heterobilayers. We show that both lattice reconstruction and interlayer charge transfer contribute significantly to the formation of moiré potentials. In particular, the lattice reconstruction induces a nonuniform local strain, which creates an energy modulation of 200 meV for the conduction band-edge state located at WS$_2$ layer and 20 meV for the valence band-edge state located at WSe$_2$ layer. In addition, the lattice reconstruction also introduces a piezopotential energy, whose amplitude ranges from 40 meV to 90 meV depending on the stacking and band-edge carrier. The interlayer charge transfer induces a built-in electric field, resulting in an energy modulation of 80 meV for an R-type moiré and 40 meV for an H-type moiré. Taking into account both effects from lattice reconstruction and interlayer charge transfer, the formation of moiré potential is well understood for both R-type and H-type moirés. This trapping potential localizes the wavefunctions of conduction and valence bands around the same moiré site for an R-type moiré, while around different moiré site for an H-type one.

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Journal
Physical review. B./Physical review. B
Published
2026-01-21
DOI
https://doi.org/10.1103/hhdc-yb5s
Primary Topic
2D Materials and Applications
Type
article
Field-Weighted Citation Impact
0.00

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article

Origin of moiré potentials in <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"> <mml:mrow> <mml:msub> <mml:mi>WS</mml:mi> <mml:mn>2</mml:mn> </mml:msub> <mml:mo>/</mml:mo> <mml:msub> <mml:mi>WSe</mml:mi> <mml:mn>2</mml:mn> </mml:msub> </mml:m

Qing Tong, Nan Gao, Anonymous
Physical review. B./Physical review. B
2D Materials and Applications
article

Origin of moiré potentials in <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"> <mml:mrow> <mml:msub> <mml:mi>WS</mml:mi> <mml:mn>2</mml:mn> </mml:msub> <mml:mo>/</mml:mo> <mml:msub> <mml:mi>WSe</mml:mi> <mml:mn>2</mml:mn> </mml:msub> </mml:m

Qing Tong, Nan Gao, Anonymous
article en

Abstract

Moiré superlattices formed in WS$_2$/WSe$_2$ heterobilayers have emerged as an exciting platform to explore the quantum many-body physics. The key mechanism is the introduction of moiré potentials for the band-edge carriers induced by the lateral modulation of interlayer interactions. This trapping potential results in the formation of flat bands, which enhances the strong correlation effect. However, a full understanding of the origin of this intriguing potential remains elusive. In this paper, we present a comprehensive investigation of the origin of moiré potentials in both R-type and H-type moiré patterns formed in WS$_2$/WSe$_2$ heterobilayers. We show that both lattice reconstruction and interlayer charge transfer contribute significantly to the formation of moiré potentials. In particular, the lattice reconstruction induces a nonuniform local strain, which creates an energy modulation of 200 meV for the conduction band-edge state located at WS$_2$ layer and 20 meV for the valence band-edge state located at WSe$_2$ layer. In addition, the lattice reconstruction also introduces a piezopotential energy, whose amplitude ranges from 40 meV to 90 meV depending on the stacking and band-edge carrier. The interlayer charge transfer induces a built-in electric field, resulting in an energy modulation of 80 meV for an R-type moiré and 40 meV for an H-type moiré. Taking into account both effects from lattice reconstruction and interlayer charge transfer, the formation of moiré potential is well understood for both R-type and H-type moirés. This trapping potential localizes the wavefunctions of conduction and valence bands around the same moiré site for an R-type moiré, while around different moiré site for an H-type one.

Physical review. B./Physical review. BVol. 113(8)
Hunan University (CN)
National Natural Science Foundation of China, National Key Research and Development Program of China, Fundamental Research Funds for the Central Universities
Affordable and clean energy
Openalex Percentile: Top 82%
2D Materials and Applications
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