High T$_c$ superconductivity in superhard diamond-like BC$_{5}$

TL;DR

This study predicts that superhard diamond-like BC$_5$ is superconducting with a critical temperature comparable to MgB$_2$, based on density functional theory calculations of its electron-phonon interactions.

Contribution

It provides the first theoretical prediction of superconductivity in superhard diamond-like BC$_5$, detailing its electron-phonon coupling and phonon properties.

Findings

Superhard diamond-like BC$_5$ is predicted to be superconducting.

Critical temperature is comparable to MgB$_2$.

Superconductivity mainly driven by vibrations of B and neighboring C atoms.

Abstract

Using density functional theory calculations we show that the recently-synthesized, superhard diamond-like BC$_5$ is superconducting with a critical temperature of the same order than that of MgB$_2$. The average electron-phonon coupling is $\lambda=0.89$, the phonon-frequency logarithmic-average is $<\omega >_{\log}=67.4 $ meV and the isotope coefficients are $\alpha(C)=0.3$ and $\alpha(B)=0.2$. In BC$_5$, superconductivity is mostly sustained by vibrations of the B atom and its C neighbors.