Symmetry-broken superconducting configurations from density functional theory for bcc and hcp metals and Nb3Sn
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| Format: | Preprint |
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2026
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| author | Shang, Shun-Li Liu, Zi-Kui |
| author_facet | Shang, Shun-Li Liu, Zi-Kui |
| contents | We recently proposed a unified theoretical framework for superconductivity that broadens the applicability of Bardeen-Cooper-Schrieffer (BCS) theory to both conventional and unconventional superconductors. Within this framework, superconductivity arises from the formation of a symmetry-broken superconducting configuration (SCC) generated by atomic perturbations of the normal conducting configuration (NCC). The SCC emerges through electron-phonon interaction and gives rise to distinct straight one-dimensional tunnels (SODTs) in the charge density difference of electrons and/or holes. These SODTs originate from regular and systematic atomic displacements between the SCC and NCC, a phenomenon revealed by density functional theory (DFT) calculations. To further verify this framework, we performed DFT-based calculations for 12 hexagonal close-packed (hcp) elements (Be, Mg, Sc, Y, Ti, Zr, Hf, Tc, Re, Ru, Os, and Zn), 5 body-centered cubic (bcc) elements (V, Nb, Ta, Mo, and W), and the compound Nb3Sn. Our results indicate that all these materials exhibit superconductivity at 0 K and 0 GPa, as evidenced by the predicted SODTs. Notably, Mg, Sc, and Y are predicted to be superconducting under ambient pressure, a finding that awaits experimental confirmation. |
| format | Preprint |
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arxiv_https___arxiv_org_abs_2601_13292 |
| institution | arXiv |
| publishDate | 2026 |
| record_format | arxiv |
| spellingShingle | Symmetry-broken superconducting configurations from density functional theory for bcc and hcp metals and Nb3Sn Shang, Shun-Li Liu, Zi-Kui Superconductivity We recently proposed a unified theoretical framework for superconductivity that broadens the applicability of Bardeen-Cooper-Schrieffer (BCS) theory to both conventional and unconventional superconductors. Within this framework, superconductivity arises from the formation of a symmetry-broken superconducting configuration (SCC) generated by atomic perturbations of the normal conducting configuration (NCC). The SCC emerges through electron-phonon interaction and gives rise to distinct straight one-dimensional tunnels (SODTs) in the charge density difference of electrons and/or holes. These SODTs originate from regular and systematic atomic displacements between the SCC and NCC, a phenomenon revealed by density functional theory (DFT) calculations. To further verify this framework, we performed DFT-based calculations for 12 hexagonal close-packed (hcp) elements (Be, Mg, Sc, Y, Ti, Zr, Hf, Tc, Re, Ru, Os, and Zn), 5 body-centered cubic (bcc) elements (V, Nb, Ta, Mo, and W), and the compound Nb3Sn. Our results indicate that all these materials exhibit superconductivity at 0 K and 0 GPa, as evidenced by the predicted SODTs. Notably, Mg, Sc, and Y are predicted to be superconducting under ambient pressure, a finding that awaits experimental confirmation. |
| title | Symmetry-broken superconducting configurations from density functional theory for bcc and hcp metals and Nb3Sn |
| topic | Superconductivity |
| url | https://arxiv.org/abs/2601.13292 |