• Letter

Phonon-mediated high-temperature superconductivity in the ternary borohydride KB2H8 under pressure near 12 GPa

Miao Gao, Xun-Wang Yan, Zhong-Yi Lu, and Tao Xiang
Phys. Rev. B 104, L100504 – Published 14 September 2021; Erratum Phys. Rev. B 105, 059901 (2022)

Abstract

The discovery of high-temperature superconductivity in hydrogen-rich compounds has fueled the enthusiasm for finding materials with more promising superconducting properties among hydrides. However, the ultrahigh pressure needed to synthesize and maintain high-temperature hydrogen-rich superconductors hinders the experimental investigation of these materials. For practical applications, it is also highly desired to find more hydrogen-rich materials that superconduct at high temperatures but under relatively lower pressures. Based on first-principles density functional theory, we calculate the electronic and phonon band structures for a ternary borohydride formed by intercalating BH4 tetrahedrons into a fcc potassium lattice, KB2H8. Remarkably, we find that this material is dynamically stable and one of its sp3-hybridized σ-bonding bands is metallized (i.e., partially filled) above a moderate high pressure. This metallized σ-bonding band couples strongly with phonons, giving rise to a strong superconducting pairing potential. By solving the anisotropic Eliashberg equations, we predict that the superconducting transition temperature of this compound is 134–146 K around 12 GPa.

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  • Received 23 June 2021
  • Accepted 7 September 2021

DOI:https://doi.org/10.1103/PhysRevB.104.L100504

©2021 American Physical Society

Physics Subject Headings (PhySH)

Condensed Matter, Materials & Applied Physics

Erratum

Authors & Affiliations

Miao Gao1,*, Xun-Wang Yan2, Zhong-Yi Lu3, and Tao Xiang4,5,6

  • 1Department of Physics, School of Physical Science and Technology, Ningbo University, Zhejiang 315211, China
  • 2College of Physics and Engineering, Qufu Normal University, Shandong 273165, China
  • 3Department of Physics, Renmin University of China, Beijing 100872, China
  • 4Institute of Physics, Chinese Academy of Sciences, Beijing 100190, China
  • 5School of Physical Sciences, University of Chinese Academy of Sciences, Beijing 100049, China
  • 6Beijing Academy of Quantum Information Sciences, Beijing 100193, China

  • *gaomiao@nbu.edu.cn

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Issue

Vol. 104, Iss. 10 — 1 September 2021

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