中国物理B ›› 2025, Vol. 34 ›› Issue (4): 47104-047104.doi: 10.1088/1674-1056/adb94d

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Strain-modulated superconductivity of monolayer Tc2B2

Zhengtao Liu(刘正涛)1, Zihan Zhang(张子涵)1, Hao Song(宋昊)2, Tian Cui(崔田)2,1, and Defang Duan(段德芳)1,†   

  1. 1 Key Laboratory of Material Simulation Methods & Software of Ministry of Education, State Key Laboratory of Superhard Materials, College of Physics, Jilin University, Changchun 130012, China;
    2 Institute of High Pressure Physics, School of Physical Science and Technology, Ningbo University, Ningbo 315211, China
  • 收稿日期:2025-01-27 修回日期:2025-02-10 接受日期:2025-02-24 出版日期:2025-04-15 发布日期:2025-04-15
  • 通讯作者: Defang Duan E-mail:duandf@jlu.edu.cn
  • 基金资助:
    Project supported by the National Natural Science Foundation of China (Grant Nos. 12274169, 12122405, and 52072188), the National Key Research and Development Program of China (Grant No. 2022YFA1402304), the Program for Science and Technology Innovation Team in Zhejiang Province, China (Grant No. 2021R01004), and the Fundamental Research Funds for the Central Universities.

Strain-modulated superconductivity of monolayer Tc2B2

Zhengtao Liu(刘正涛)1, Zihan Zhang(张子涵)1, Hao Song(宋昊)2, Tian Cui(崔田)2,1, and Defang Duan(段德芳)1,†   

  1. 1 Key Laboratory of Material Simulation Methods & Software of Ministry of Education, State Key Laboratory of Superhard Materials, College of Physics, Jilin University, Changchun 130012, China;
    2 Institute of High Pressure Physics, School of Physical Science and Technology, Ningbo University, Ningbo 315211, China
  • Received:2025-01-27 Revised:2025-02-10 Accepted:2025-02-24 Online:2025-04-15 Published:2025-04-15
  • Contact: Defang Duan E-mail:duandf@jlu.edu.cn
  • Supported by:
    Project supported by the National Natural Science Foundation of China (Grant Nos. 12274169, 12122405, and 52072188), the National Key Research and Development Program of China (Grant No. 2022YFA1402304), the Program for Science and Technology Innovation Team in Zhejiang Province, China (Grant No. 2021R01004), and the Fundamental Research Funds for the Central Universities.

摘要: Two-dimensional (2D) superconductors have attracted significant research interest due to their promising potential applications in optoelectronic and microelectronic devices. Herein, we employ first-principles calculations to predicted a new 2D conventional superconductor, Tc$_{2}$B$_{2}$, demonstrating its stable structural configuration. Remarkably, under biaxial strain, the superconducting transition temperature ($T_{\rm c}$) of Tc$_{2}$B$_{2}$ demonstrates a significant enhancement, achieving 19.5 K under 3% compressive strain and 9.2 K under 11% tensile strain. Our study reveals that strain-induced modifications in Fermi surface topology significantly enhance the Fermi surface nesting effect, which amplifies electron-phonon coupling interactions and consequently elevates $T_{\rm c}$. Additionally, the presence of the Lifshitz transition results in a more pronounced rise in $T_{\rm c}$ under compressive strain compared to tensile strain. These insights offer important theoretical guidance for designing 2D superconductors with high-$T_{\rm c}$ through strain modulation.

关键词: two-dimensional, superconductivity, strain modulation, first-principles calculation

Abstract: Two-dimensional (2D) superconductors have attracted significant research interest due to their promising potential applications in optoelectronic and microelectronic devices. Herein, we employ first-principles calculations to predicted a new 2D conventional superconductor, Tc$_{2}$B$_{2}$, demonstrating its stable structural configuration. Remarkably, under biaxial strain, the superconducting transition temperature ($T_{\rm c}$) of Tc$_{2}$B$_{2}$ demonstrates a significant enhancement, achieving 19.5 K under 3% compressive strain and 9.2 K under 11% tensile strain. Our study reveals that strain-induced modifications in Fermi surface topology significantly enhance the Fermi surface nesting effect, which amplifies electron-phonon coupling interactions and consequently elevates $T_{\rm c}$. Additionally, the presence of the Lifshitz transition results in a more pronounced rise in $T_{\rm c}$ under compressive strain compared to tensile strain. These insights offer important theoretical guidance for designing 2D superconductors with high-$T_{\rm c}$ through strain modulation.

Key words: two-dimensional, superconductivity, strain modulation, first-principles calculation

中图分类号:  (Density functional theory, local density approximation, gradient and other corrections)

  • 71.15.Mb
68.35.Gy (Mechanical properties; surface strains) 74.25.Jb (Electronic structure (photoemission, etc.)) 74.25.Kc (Phonons)