中国物理B ›› 2026, Vol. 35 ›› Issue (2): 26801-026801.doi: 10.1088/1674-1056/ae23ac

• • 上一篇    下一篇

Three-dimensional flat bands and possible interlayer triplet pairing superconductivity in the alternating twisted NbSe2 moiré bulk

Shuang Liu(刘爽)1,2, Peng Chen(陈鹏)2,3,4, and Shihao Zhang(张世豪)1,†   

  1. 1 School of Physics and Electronics, Hunan University, Changsha 410082, China;
    2 Department of Physics, Guangdong Technion-Israel Institute of Technology, Shantou 515063, China;
    3 Department of Physics, Technion-Israel Institute of Technology, Haifa 32000, Israel;
    4 Guangdong Provincial Key Laboratory of Materials and Technologies for Energy Conversion, Guangdong Technion-Israel Institute of Technology, Shantou 515063, China
  • 收稿日期:2025-09-20 修回日期:2025-11-13 接受日期:2025-11-25 发布日期:2026-01-21
  • 通讯作者: Shihao Zhang E-mail:zhangshh@hnu.edu.cn
  • 基金资助:
    This work was supported by the National Key Research and Development Program of China (Grant No. 2024YFA1410300), the National Natural Science Foundation of China (Grant No. 12304217), the Natural Science Foundation of Hunan Province (Grant No. 2025JJ60002), and the Fundamental Research Funds for the Central Universities of China (Grant No. 531119200247). We gratefully acknowledge HZWTECH for providing computational facilities.

Three-dimensional flat bands and possible interlayer triplet pairing superconductivity in the alternating twisted NbSe2 moiré bulk

Shuang Liu(刘爽)1,2, Peng Chen(陈鹏)2,3,4, and Shihao Zhang(张世豪)1,†   

  1. 1 School of Physics and Electronics, Hunan University, Changsha 410082, China;
    2 Department of Physics, Guangdong Technion-Israel Institute of Technology, Shantou 515063, China;
    3 Department of Physics, Technion-Israel Institute of Technology, Haifa 32000, Israel;
    4 Guangdong Provincial Key Laboratory of Materials and Technologies for Energy Conversion, Guangdong Technion-Israel Institute of Technology, Shantou 515063, China
  • Received:2025-09-20 Revised:2025-11-13 Accepted:2025-11-25 Published:2026-01-21
  • Contact: Shihao Zhang E-mail:zhangshh@hnu.edu.cn
  • Supported by:
    This work was supported by the National Key Research and Development Program of China (Grant No. 2024YFA1410300), the National Natural Science Foundation of China (Grant No. 12304217), the Natural Science Foundation of Hunan Province (Grant No. 2025JJ60002), and the Fundamental Research Funds for the Central Universities of China (Grant No. 531119200247). We gratefully acknowledge HZWTECH for providing computational facilities.

PDF (PC)

21

赞

补充材料

1

摘要： Moiré superlattices hosting flat bands and correlated states have become a central focus in condensed matter research. Using first-principles calculations, we investigate three-dimensional flat bands in alternating twisted NbSe$_2$ moiré bulk structures, which exhibit stronger interlayer interactions than twisted bilayer configurations. Our results show that moiré bulks undergo spontaneous large-scale structural relaxation, leading to the formation of remarkably flat energy bands at twist angles $\leq 7.31^\circ$. The $k_z$-dependent dispersion of these flat bands across different moiré bulks highlights their intrinsic three-dimensional character. Moreover, the presence of out-of-plane mirror symmetry in these moiré bulk structures indicates potential interlayer triplet superconducting pairing mechanisms, distinct from those in twisted bilayer systems. This work opens new avenues for exploring three-dimensional flat bands in other moiré bulk systems.

关键词: moiré superlattices, first-principles calculations, electronic structure

Abstract: Moiré superlattices hosting flat bands and correlated states have become a central focus in condensed matter research. Using first-principles calculations, we investigate three-dimensional flat bands in alternating twisted NbSe$_2$ moiré bulk structures, which exhibit stronger interlayer interactions than twisted bilayer configurations. Our results show that moiré bulks undergo spontaneous large-scale structural relaxation, leading to the formation of remarkably flat energy bands at twist angles $\leq 7.31^\circ$. The $k_z$-dependent dispersion of these flat bands across different moiré bulks highlights their intrinsic three-dimensional character. Moreover, the presence of out-of-plane mirror symmetry in these moiré bulk structures indicates potential interlayer triplet superconducting pairing mechanisms, distinct from those in twisted bilayer systems. This work opens new avenues for exploring three-dimensional flat bands in other moiré bulk systems.

Key words: moiré superlattices, first-principles calculations, electronic structure

中图分类号:  (Low-dimensional, mesoscopic, nanoscale and other related systems: structure and nonelectronic properties)

  • 68.65.-k
71.15.Mb (Density functional theory, local density approximation, gradient and other corrections) 73.21.Cd (Superlattices) 74.20.-z (Theories and models of superconducting state)