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| Main Authors: | , , , |
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| Format: | Preprint |
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2025
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| Online Access: | https://arxiv.org/abs/2506.17147 |
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| _version_ | 1866912443012218880 |
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| author | Smith, Adam D. Ding, Wenjun Vohra, Yogesh K. Chen, Cheng-Chien |
| author_facet | Smith, Adam D. Ding, Wenjun Vohra, Yogesh K. Chen, Cheng-Chien |
| contents | Recent experiments demonstrate a "robust superconductivity phenomenon" in niobium-based alloys, where the superconducting state remains intact and the critical temperature ($T_c$) is largely unaffected by external pressure well above tens of gigapascal (GPa) into the megabar regime ($\ge 100 GPa$). Motivated by these observations, we perform first-principles electron-phonon calculations for body-centered cubic Nb and NbTi crystals, as well as for special quasi-random structures of Nb$_{0.5}$Ti$_{0.5}$ and (NbTa)$_{0.7}$(HfZrTi)$_{0.3}$ high-entropy alloy (HEA). The calculations unravel the underlying mechanism of robust superconductivity, stemming from a compensation effect between varying electronic and phonon properties under pressure. The results also reveal how structural and chemical disorders modify the superconducting state. The first-principles $T_c$ values agree quantitatively with the experiments throughout the entire pressure range under study. Our work thereby paves the way for exploring superconducting HEAs under pressure via advanced first-principles simulations. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2506_17147 |
| institution | arXiv |
| publishDate | 2025 |
| record_format | arxiv |
| spellingShingle | Unraveling the Robust Superconductivity Phenomenon of High-Entropy Alloy Smith, Adam D. Ding, Wenjun Vohra, Yogesh K. Chen, Cheng-Chien Superconductivity Recent experiments demonstrate a "robust superconductivity phenomenon" in niobium-based alloys, where the superconducting state remains intact and the critical temperature ($T_c$) is largely unaffected by external pressure well above tens of gigapascal (GPa) into the megabar regime ($\ge 100 GPa$). Motivated by these observations, we perform first-principles electron-phonon calculations for body-centered cubic Nb and NbTi crystals, as well as for special quasi-random structures of Nb$_{0.5}$Ti$_{0.5}$ and (NbTa)$_{0.7}$(HfZrTi)$_{0.3}$ high-entropy alloy (HEA). The calculations unravel the underlying mechanism of robust superconductivity, stemming from a compensation effect between varying electronic and phonon properties under pressure. The results also reveal how structural and chemical disorders modify the superconducting state. The first-principles $T_c$ values agree quantitatively with the experiments throughout the entire pressure range under study. Our work thereby paves the way for exploring superconducting HEAs under pressure via advanced first-principles simulations. |
| title | Unraveling the Robust Superconductivity Phenomenon of High-Entropy Alloy |
| topic | Superconductivity |
| url | https://arxiv.org/abs/2506.17147 |