Optimal coloring and strain-enhanced superconductivity in Li$_n$B$_{n+1}$C$_{n-1}$
Abstract
Boron-rich lithium borocarbides are promising candidates for phonon-mediated high-temperature superconductors due to their metallic -bonding electrons. Here, we use the cluster expansion method to identify energetically stable configurations (colorings) of LiBC and LiBC, which are characterized by a distinctive pattern of alternating B-B and B-C zigzag chains. Surprisingly, the optimal configuration of LiBC exhibits an extremely low superconducting transition temperature of K, which is attributed to the suppression of deformation potentials near the Fermi level caused by the specific electron filling of B-B zigzag chains. However, the -bonding electrons at the Fermi level are highly sensitive to external strain or pressure. Specifically, applying a -5\% compressive uniaxial strain can significantly enhance the electron-phonon coupling and the Eliashberg spectral function, boosting up to 37 K. This work not only presents a novel strategy for achieving phonon-mediated high-temperature superconductivity in LiBC compounds but also provides valuable insights into the complex interplay between electronic structure and superconducting interaction.
Keywords
Cite
@article{arxiv.2411.09925,
title = {Optimal coloring and strain-enhanced superconductivity in Li$_n$B$_{n+1}$C$_{n-1}$},
author = {Yuhao Gu and Jiangping Hu and Hong Jiang and Tao Xiang},
journal= {arXiv preprint arXiv:2411.09925},
year = {2024}
}
Comments
10 pages, 5 figures