Exploring Robust Superconductivity in High-Entropy Alloys under Extreme Pressure Conditions

ORAL

Abstract

High-entropy alloys (HEAs) have demonstrated a fascinating phenomenon - robust superconductivity - where the superconducting Tc is insensitive to applied pressure in the megabar regime. In this study, we employ the EPW code, based on density functional perturbation theory and maximally localized Wannier functions, for ab initio calculations of electron-phonon interactions. Our investigation includes systematic EPW and special quasi-random structures (SQS) calculations for cubic Nb, NbTi crystal, NbTi alloy, and (TaNb)0.7(HfZrTi)0.3 HEA, evaluating their superconducting Tc in the 0-150 GPa pressure range. These first-principles calculations show good quantitative agreement with experimental high-pressure Tc measurements. Our study not only elucidates how configurational or alloying disorder alters the electron-phonon properties, but also offers implications for tailoring superconducting performance in HEA systems under pressure.

* This work is supported by the National Science Foundation (NSF) Award No. DMR-2310526. W.D. and C.C.C. also acknowledge support from NSF Award No. DMR-2142801. The calculations were performed on the Frontera computing system at the Texas Advanced Computing Center. Frontera is made possible by NSF Award No. OAC-1818253.

Presenters

  • Adam D. Smith

    University of Alabama at Birmingham

Authors

  • Adam D. Smith

    University of Alabama at Birmingham

  • Wenjun Ding

    University of Alabama at Birmingham

  • Yogesh K Vohra

    University of Alabama at Birmingham

  • Cheng-Chien Chen

    University of Alabama at Birmingham