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<p>Recent experiments demonstrate a “robust superconductivity phenomenon” in niobium-based alloys, where the superconducting state remains intact and the critical temperature (<i>T</i><sub><i>c</i></sub>) is largely unaffected by external pressure well above tens of gigapascal (GPa) into the megabar regime (≥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<sub>0.5</sub>Ti<sub>0.5</sub> and (NbTa)<sub>0.7</sub>(HfZrTi)<sub>0.3</sub> 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 <i>T</i><sub><i>c</i></sub> 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.</p>

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Unraveling the robust superconductivity phenomenon of high-entropy alloy

  • 期刊论文

  • 出版模式：

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  • 发表日期：

    2026年7月8日

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  • Adam D. Smith,
  • Wenjun Ding,
  • Yogesh K. Vohra,
  • Cheng-Chien Chen

摘要

Recent experiments demonstrate a “robust superconductivity phenomenon” in niobium-based alloys, where the superconducting state remains intact and the critical temperature (Tc) is largely unaffected by external pressure well above tens of gigapascal (GPa) into the megabar regime (≥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 Nb0.5Ti0.5 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 Tc 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.