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  • Letter

Orbital-designed flat-band model and realization of superconductivity in three-dimensional materials

Yueshao Zheng1, Leiqiang Li2,*, Nannan Luo1, Li-Ming Tang1, Yexin Feng1, Ke-Qiu Chen1, Zhenyu Zhang3, and Jiang Zeng1,†

  • 1Department of Applied Physics, School of Physics and Electronics, Hunan University, Changsha 410082, China
  • 2Minjiang Collaborative Center for Theoretical Physics, College of Physics and Electronic Information Engineering, Minjiang University, Fuzhou 350108, China
  • 3International Center for Quantum Design of Functional Materials (ICQD), Hefei National Research Center for Physical Sciences at the Microscale, University of Science and Technology of China, Hefei 230026, China

  • *Corresponding author: lilq2022@mju.edu.cn
  • †jiangzeng@hnu.edu.cn

Phys. Rev. B 109, L180504 – Published 10 May, 2024

DOI: https://doi.org/10.1103/PhysRevB.109.L180504

Abstract

Electronic materials with a flat-band provide a fertile foundation for exploiting emerging quantum phenomena. Progress has been made in various two-dimensional (2D) systems, especially in a geometric frustrated kagome lattice system and a moire superlattice system for the study of unconventional superconductivity. However, intrinsic superconductivity has not yet been reported in 3D flat-band systems. The orbital degree of freedom might bring new vitality into the field of flat bands and superconductivity. Here, we propose an orbital-designed 3D flat-band model and its realization in various materials containing degenerate p-electrons, d-electrons, or molecular orbitals. More importantly, the possibility of superconductivity in some of these 3D flat-band materials, e.g., K2Pb and K2Bi, is revealed via first-principles calculations. Interestingly, these are intrinsically multiband superconductors. Our findings would expand the scope of flat-band studies, shedding light on the exploration of interacting effects and emerging quantum phases in 3D materials.

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