Prediction of π-electrons mediated high-temperature superconductivity in monolayer LiC12

Ran Liu; Jiajun Lu; Hongxin Chen; Xiuwen Zhao; Guichao Hu; Xiaobo Yuan; Junfeng Ren

doi:10.1088/1361-648X/acb582

Prediction of π-electrons mediated high-temperature superconductivity in monolayer LiC₁₂

J Phys Condens Matter. 2023 Feb 15;35(14). doi: 10.1088/1361-648X/acb582.

Authors

Ran Liu¹, Jiajun Lu¹, Hongxin Chen¹, Xiuwen Zhao¹, Guichao Hu¹, Xiaobo Yuan¹, Junfeng Ren^{1

2}

Affiliations

¹ School of Physics and Electronics, Shandong Normal University, Jinan 250358, People's Republic of China.
² Shandong Provincial Engineering and Technical Center of Light Manipulations & Institute of Materials and Clean Energy, Shandong Normal University, Jinan 250358, People's Republic of China.

PMID: 36689775
DOI: 10.1088/1361-648X/acb582

Abstract

Prediction and synthesis of two-dimensional high transition temperature (T_C) superconductors is an area of extensive research. Based on calculations of the electronic structures and lattice dynamics, we predict that graphene-like layered monolayer LiC₁₂is aπ-electrons mediated Bardeen-Cooper-Schrieffer-type superconductor. Monolayer LiC₁₂is theoretically stable and expected to be synthesized experimentally. From the band structures and the phonon dispersion spectrum, it is found that the saddle point ofπ-bonding bands induces large density of states at the Fermi energy level. There is strongly coupled between the vibration mode in the in-plane direction of the lithium atoms and theπ-electrons of carbon atoms, which induces the high-T_Csuperconductivity in LiC₁₂. TheT_Ccan reach to 41 K under an applied 10% biaxial tensile strain based on the anisotropic Eliashberg equation. Our results show that monolayer LiC₁₂is a good candidate asπ-electrons mediated electron-phonon coupling high-T_Csuperconductor.

Keywords: biaxial tensile strain; electron-phonon coupling; high-T C superconductor; π-electrons.