Twist-angle transferable continuum model and second flat Chern band in twisted MoTe2 and WSe2

We develop a twist-angle transferable continuum model for twisted transition metal dichalcogenide (tTMD) homobilayers, using tMoTe2 and tWSe2 as examples. All model parameters are extracted from density functional theory (DFT) calculations at a single twist angle (3.89°) and monolayer data. Our model captures both lattice relaxation effects and the long-range behavior of piezoelectric and ferroelectric potentials. Leveraging lattice relaxations obtained via machine learning force fields (MLFFs), the model can be efficiently transferred to other twist angles without requiring additional DFT calculations. It accurately reproduces the DFT band dispersions and quantum geometries across a wide range of twist angles. Furthermore, our model reveals that a second flat Chern band arises near 2° when the interlayer potential difference becomes comparable to the interlayer tunneling. This continuum model provides a clear understanding and starting point for engineering novel electronic phases in moiré TMDs through twist angles and lattice relaxations.

Authors

Institutions

Publication Details

Journal
npj Quantum Materials
Published
2025-12-02
DOI
https://doi.org/10.1038/s41535-025-00828-6
Citations
2
Primary Topic
2D Materials and Applications
Type
article
Field-Weighted Citation Impact
1.04

Funders

Controls
|||
ALL TIME
JAN
FEB
MAR
APR
MAY
JUN
JUL
AUG
SEP
OCT
article

Twist-angle transferable continuum model and second flat Chern band in twisted MoTe2 and WSe2

Ting Cao, Chong Wang, Xiaowei Zhang, Kaijie Yang et al.
2 citations
npj Quantum Materials
2D Materials and Applications
1.04
article

Twist-angle transferable continuum model and second flat Chern band in twisted MoTe2 and WSe2

Ting Cao, Chong Wang, Xiaowei Zhang, Kaijie Yang, Di Xiao, Xiaoyu Liu
article en
2 citations

Abstract

We develop a twist-angle transferable continuum model for twisted transition metal dichalcogenide (tTMD) homobilayers, using tMoTe2 and tWSe2 as examples. All model parameters are extracted from density functional theory (DFT) calculations at a single twist angle (3.89°) and monolayer data. Our model captures both lattice relaxation effects and the long-range behavior of piezoelectric and ferroelectric potentials. Leveraging lattice relaxations obtained via machine learning force fields (MLFFs), the model can be efficiently transferred to other twist angles without requiring additional DFT calculations. It accurately reproduces the DFT band dispersions and quantum geometries across a wide range of twist angles. Furthermore, our model reveals that a second flat Chern band arises near 2° when the interlayer potential difference becomes comparable to the interlayer tunneling. This continuum model provides a clear understanding and starting point for engineering novel electronic phases in moiré TMDs through twist angles and lattice relaxations.

npj Quantum MaterialsVol. 10(1)
Pacific Northwest National Laboratory (US), University of Washington (US)
U.S. Department of Energy, University of Washington, National Energy Research Scientific Computing Center, Office of Science, Division of Materials Research, Basic Energy Sciences, Pacific Northwest National Laboratory
Openalex Percentile: Top 21%
2D Materials and Applications
1.04
AI Navigator

Ask Laika to Summarize, Analyze, and Connect papers live on the map.

Summarize Papers & Methodologies

Extract key findings, datasets, and comparative methods across publications.

Benchmark Rankings & Visual Analytics

Rank top research institutions, authors, funders, topics, and journals by Field-Weighted Citation Impact (FWCI) and paper volume with instant charts.

Connect Distant Disciplines

Bridge topological clusters on the map to find hidden collaborative intersections.