Papers › Unraveling the Robust Superconductivity Phenomenon of High-Entropy Alloy
Unraveling the Robust Superconductivity Phenomenon of High-Entropy Alloy
Adam D. Smith, Wenjun Ding, Yogesh K. Vohra, Cheng-Chien Chen
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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 (≥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.
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