Quest for high Tc in layered structures: the case of LiB

Journal Article

Using electronic structure calculation we study the superconducting properties of the theoretically-devised superconductor MS1-LiB (LiB). We calculate the electron-phonon coupling ($\lambda=0.62$) and the phonon frequency logarithmic average ($<\omega >_{log}=54.6$ meV) and show that the LiB critical temperature is in the range of 10-15 K, despite the frozen-phonon deformation potential being of the same order of MgB$_2$. As a consequence, LiB captures some of the essential physics of MgB$_2$ but (i) the electron-phonon coupling due to $\sigma$ states is smaller and (ii) the precious contribution of the $\pi$ carriers to the critical temperature is lacking. We investigate the possible change in $T_c$ that can be induced by doping and pressure and find that these conditions cannot easily increase $T_c$ in LiB.

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Duke Authors

Cited Authors

  • Calandra, M; Kolmogorov, AN; Curtarolo, S