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Strong-coupling superconductivity in LiB2C2 trilayer films

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Coupling between $\sigma$-bonding electrons and phonons is generally very strong. To metallize $\sigma$-electrons provides a promising route to hunt for new high-T$_c$ superconductors. Based on this picture and first-principles density… Click to show full abstract

Coupling between $\sigma$-bonding electrons and phonons is generally very strong. To metallize $\sigma$-electrons provides a promising route to hunt for new high-T$_c$ superconductors. Based on this picture and first-principles density functional calculation with Wannier interpolation for electronic structure and lattice dynamics, we predict that trilayer film LiB$_2$C$_2$ is a good candidate to realize this kind of high-T$_c$ superconductivity. By solving the anisotropic Eliashberg equations, we find that free-standing trilayer LiB$_2$C$_2$ is a phonon-mediated superconductor with T$_c$ exceeding the liquid-nitrogen temperature at ambient pressure. The transition temperature can be further raised to 125 K by applying a biaxial tensile strain.

Keywords: superconductivity; strong coupling; superconductivity lib2c2; lib2c2 trilayer; trilayer; coupling superconductivity

Journal Title: Physical Review B
Year Published: 2020

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