Maximally localized Wannier functions, interaction models, and fractional quantum anomalous Hall effect in twisted bilayer MoTe2

• 成果类型: Article
• 署名作者: Xu, Cheng; Li, Jiangxu; Xu, Yong; Bi, Zhen; Zhang, Yang
• 署名单位: University of Tennessee System; University of Tennessee Knoxville; Tsinghua University; Pennsylvania Commonwealth System of Higher Education (PCSHE); Pennsylvania State University; Pennsylvania State University - University Park; University of Tennessee System; University of Tennessee Knoxville
• 刊物名称: PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
• ISSN/ISSBN: 0027-11901
• DOI: 10.1073/pnas.2316749121
• 发表日期: 2024-02-20
• 关键词: moire; TRANSITION; STATES

摘要

We investigate the moire band structures and the strong correlation effects in twisted bilayer MoTe2 for a wide range of twist angles, employing a combination of various techniques. Using large-scale first -principles calculations, we pinpoint realistic continuum modeling parameters, subsequently deriving the maximally localized Wannier functions for the top three moire bands. Simplifying our model with reasonable assumptions, we obtain a minimal two -band model, encompassing Coulomb repulsion, correlated hopping, and spin exchange. Our minimal interaction models pave the way for further exploration of the rich many -body physics in twisted MoTe2. Furthermore, we explore the phase diagrams of the system through Hartree- Fock approximation and exact diagonalization (ED). Our two -band ED analysis underscores significant band -mixing effects in this system, which enlarge the optimal twist angle for fractional quantum anomalous Hall states.