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  • Letter

Coexistence of superconductivity and superionicity in Li2MgH16

Haoran Chen1 and Junren Shi1,2,*

  • 1International Center for Quantum Materials, Peking University, Beijing 100871, China
  • 2Collaborative Innovation Center of Quantum Matter, Beijing 100871, China

  • *junrenshi@pku.edu.cn

Phys. Rev. B 109, L140505 – Published 15 April, 2024

DOI: https://doi.org/10.1103/PhysRevB.109.L140505

Abstract

We study superconductivity in the superionic phase of the clathrate hydride Li2MgH16, where hydrogen ions diffuse among the lattice formed by lithium and magnesium ions. By employing the stochastic path-integral approach, we nonperturbatively take into account the effects of quantum diffusion and anharmonic vibrations. Our calculations reveal strong electron-ion coupling [λ(0)=3.7] and a high superconducting transition temperature (Tc) of 277 K under 260 GPa, at which the material is still superionic. Tc is significantly suppressed compared with the result Tc=473 K obtained from the conventional approach based on the harmonic approximation. Our study, based on a first-principles approach applicable to superionic systems, indicates that the superconductivity and superionicity can coexist in Li2MgH16.

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