Orbital-selective two-gap superconductivity in kagome metal CsV3Sb5
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| Format: | Preprint |
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2025
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| _version_ | 1866918134792847360 |
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| author | Lv, Run Tu, Wenqian Shao, Dingfu Sun, Yuping Lu, Wenjian |
| author_facet | Lv, Run Tu, Wenqian Shao, Dingfu Sun, Yuping Lu, Wenjian |
| contents | Recent experiments have revealed anisotropic multi-gap superconductivity in the kagome metal CsV3Sb5. However, the impact of multi-orbital character and electron-phonon coupling (EPC) on the multiple superconducting gaps remains not fully understood. In this work, we theoretically investigate the multi-orbital electronic structure and superconducting gap properties of CsV3Sb5 by combining first-principles calculations with superconducting density functional theory (SCDFT). Our results demonstrate that orbital-selective pairing drives the observed two-gap superconductivity in CsV3Sb5. Specifically, the two distinct gaps exhibit strong orbital dependence: a large, highly anisotropic gap (average magnitude ~0.64 meV) primarily originates from V-3d orbitals, while a small, isotropic gap (~0.25 meV) is associated with the Sb-5pz orbital. The V-3d orbitals exhibit strong coupling to the in-plane V-V bond-stretching and out-of-plane V-Sb bending phonon modes, whereas the Sb-5pz orbitals show weak coupling to the out-of-plane vibrations of both Cs and the apical Sb atoms. These findings provide fundamental insights into the orbital-selective superconductivity and EPC mechanisms in kagome CsV3Sb5. |
| format | Preprint |
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arxiv_https___arxiv_org_abs_2508_17327 |
| institution | arXiv |
| publishDate | 2025 |
| record_format | arxiv |
| spellingShingle | Orbital-selective two-gap superconductivity in kagome metal CsV3Sb5 Lv, Run Tu, Wenqian Shao, Dingfu Sun, Yuping Lu, Wenjian Superconductivity Materials Science Recent experiments have revealed anisotropic multi-gap superconductivity in the kagome metal CsV3Sb5. However, the impact of multi-orbital character and electron-phonon coupling (EPC) on the multiple superconducting gaps remains not fully understood. In this work, we theoretically investigate the multi-orbital electronic structure and superconducting gap properties of CsV3Sb5 by combining first-principles calculations with superconducting density functional theory (SCDFT). Our results demonstrate that orbital-selective pairing drives the observed two-gap superconductivity in CsV3Sb5. Specifically, the two distinct gaps exhibit strong orbital dependence: a large, highly anisotropic gap (average magnitude ~0.64 meV) primarily originates from V-3d orbitals, while a small, isotropic gap (~0.25 meV) is associated with the Sb-5pz orbital. The V-3d orbitals exhibit strong coupling to the in-plane V-V bond-stretching and out-of-plane V-Sb bending phonon modes, whereas the Sb-5pz orbitals show weak coupling to the out-of-plane vibrations of both Cs and the apical Sb atoms. These findings provide fundamental insights into the orbital-selective superconductivity and EPC mechanisms in kagome CsV3Sb5. |
| title | Orbital-selective two-gap superconductivity in kagome metal CsV3Sb5 |
| topic | Superconductivity Materials Science |
| url | https://arxiv.org/abs/2508.17327 |