Phonon-mediated superconductivity in Mg intercalated bilayer borophenes.

Using first-principles calculations, we investigate the structural, electronic and superconducting properties of Mg intercalated bilayer borophenes BMgB (x = 2-5). Remarkably, BMgB and BMgB are predicted to exhibit good phonon-mediated superconductivity with a high transition temperature (T) of 23.2 K and 13.3 K, respectively, while BMgB is confirmed to be more practical based on the analyses of its stability. The densities of states of in-plane orbitals at the Fermi level are found to be dominant at the superconducting transition temperature in Mg intercalated bilayer borophenes, providing an effective avenue to explore Mg-B systems with high Ts.