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Controllable Chirality and Band Gap of Quantum Anomalous Hall Insulators

  • Zhiming Xu
    Zhiming Xu
    State Key Laboratory of Low Dimensional Quantum Physics and Department of Physics, Tsinghua University, Beijing100084, China
    More by Zhiming Xu
  • Wenhui Duan*
    Wenhui Duan
    State Key Laboratory of Low Dimensional Quantum Physics and Department of Physics, Tsinghua University, Beijing100084, China
    Tencent Quantum Laboratory, Tencent, Shenzhen, Guangdong518057, China
    Frontier Science Center for Quantum Information, Beijing100084, China
    Collaborative Innovation Center of Quantum Matter, Beijing100084, China
    Institute for Advanced Study, Tsinghua University, Beijing100084, China
    Beijing Academy of Quantum Information Sciences, Beijing100193, China
    *E-mail: [email protected]
    More by Wenhui Duan
  • , and 
  • Yong Xu*
    Yong Xu
    State Key Laboratory of Low Dimensional Quantum Physics and Department of Physics, Tsinghua University, Beijing100084, China
    Tencent Quantum Laboratory, Tencent, Shenzhen, Guangdong518057, China
    Frontier Science Center for Quantum Information, Beijing100084, China
    Collaborative Innovation Center of Quantum Matter, Beijing100084, China
    RIKEN Center for Emergent Matter Science (CEMS), Wako, Saitama351-0198, Japan
    *E-mail: [email protected]
    More by Yong Xu
Cite this: Nano Lett. 2023, 23, 1, 305–311
Publication Date (Web):December 20, 2022
https://doi.org/10.1021/acs.nanolett.2c04369
Copyright © 2022 American Chemical Society

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    Abstract

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    Finding guiding principles to optimize properties of quantum anomalous Hall (QAH) insulators is of pivotal importance to fundamental science and applications. Here, we build a first-principles QAH material database of chirality and band gap, explore microscopic mechanisms determining the QAH material properties, and obtain a general physical picture that can help researchers comprehensively understand the QAH data. Our results reveal that the usually neglected Coulomb exchange is unexpectedly strong in a large class of QAH materials, which is the key to resolve experimental puzzles. Moreover, we identify simple indicators for property evaluation and suggest material design strategies to control QAH chirality and gap by tuning cooperative or competing contributions via magnetic codoping, heterostructuring, spin–orbit proximity, etc. The work is valuable to future research of magnetic topological physics and materials.

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    • Theoretical model analysis, computational methods, discussion on puzzling issues of QAH chirality and band gap, detailed calculation results (PDF)

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