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Effect of hole doping on superconductivity in compressed CeH9 at high pressures

Chongze Wang1, Shuyuan Liu1, Hyunsoo Jeon1, Seho Yi1, Yunkyu Bang2,3, and Jun-Hyung Cho1,3,*

  • 1Department of Physics, Research Institute for Natural Science, and Institute for High Pressure at Hanyang University, Hanyang University, 222 Wangsimni-ro, Seongdong-Ku, Seoul 04763, Republic of Korea
  • 2Department of Physics, Pohang University of Science and Technology, Pohang 37673, Republic of Korea
  • 3Asia Pacific Center for Theoretical Physics, Pohang-si, Gyeongsangbuk-do 37673, Republic of Korea

  • *Corresponding author: chojh@hanyang.ac.kr

Phys. Rev. B 104, L020504 – Published 12 July, 2021

DOI: https://doi.org/10.1103/PhysRevB.104.L020504

Abstract

The experimental realization of high-temperature superconductivity in compressed hydrides H3S and LaH10 under high pressures over 150 GPa has aroused great interest in reducing the stabilization pressure of superconducting hydrides. For cerium hydride CeH9 recently synthesized at 80–100 GPa, our first-principles calculations reveal that the strongly hybridized electronic states of Ce−4f and H−1s orbitals produce the topologically nontrivial Dirac nodal lines around the Fermi energy EF, which are protected by crystalline symmetries. By hole doping, EF shifts down toward the symmetry-driven van Hove singularity to increase the density of states, which in turn significantly raises a superconducting transition temperature Tc. We show that hole doping with Ce3+ ions can be very electronically miscible in CeH9 because both Ce3+ and Ce behave similarly as cations. Therefore, the interplay of crystalline symmetry, band topology, and hole doping contributes to enhance Tc in compressed CeH9, which can also be demonstrated in another superconducting rare-earth hydride, LaH10.

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