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    Pressure-enhanced superconductivity and pressure-induced uniaxial negative thermal expansion in CuAl2-type NiZr2

    Ryunosuke Shimada1,*, Cuiying Pei2,*, Yuto Watanabe1, Kota Muroi1, Hidetomo Usui3, Aichi Yamashita1, Yanpeng Qi2,4,†, and Yoshikazu Mizuguchi1,‡

    • 1Department of Physics, Tokyo Metropolitan University, Hachioji 192–0397, Japan
    • 2State Key Laboratory of Quantum Functional Materials, ShanghaiTech Laboratory for Topological Physics, School of Physical Science and Technology, ShanghaiTech University, Shanghai 201210, China
    • 3Department of Applied Physics, Shimane University, Matsue, Shimane 6908504, Japan
    • 4Shanghai Key Laboratory of High-Resolution Electron Microscopy, ShanghaiTech University, Shanghai 201210, China

    • *These authors contributed equally to this work.
    • †Contact author: qiyp@shanghaitech.edu.cn
    • ‡Contact author: mizugu@tmu.ac.jp

    Phys. Rev. Materials 10, 084802 – Published 28 August, 2026

    DOI: https://doi.org/10.1103/tgld-zb2p

    Abstract

    NiZr2 is a member of the transition metal (Tr) zirconide TrZr2 superconductor family having a CuAl2-type tetragonal structure. In this study, we report on two different pressure-induced properties of NiZr2. The first one is pressure-enhanced superconductivity; the transition temperature (Tc) reaches 4.8 K at P=64.9 GPa, while the Tc of NiZr2 at ambient pressure is lower than 2 K. From the calculated density of states (DOS) at the Fermi energy, we suggest that the enhancement of Tc cannot be explained by the change in DOS. The Debye temperature estimated from the resistance analysis increases with pressure, which suggests the possible correlation with the enhancement of superconductivity, while the Tc under pressure calculated based on a conventional model suggests that the conventional pairing is not sufficient to explain the pressure-enhanced Tc. The second property is pressure-induced uniaxial negative thermal expansion (NTE). We performed synchrotron x-ray diffraction (XRD) under pressure at variable temperatures. From the temperature-dependent XRD patterns and the Rietveld refinement results, we confirmed the emergence of NTE along the c-axis in NiZr2. Since the NTE is one of the new functionalities in TrZr2, the pressure-induced NTE will be one of the important parts for developing new NTE materials and understanding the mechanism of NTE in the family and related materials.

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