Phonon-mediated superconductivity in Mg intercalated bilayer borophenes
Abstract
Using first-principles calculations, we investigate the structural, electronic and superconducting properties of Mg intercalated bilayer borophenes BxMgBx (x = 2–5). Remarkably, B2MgB2 and B4MgB4 are predicted to exhibit good phonon-mediated superconductivity with a high transition temperature (Tc) of 23.2 K and 13.3 K, respectively, while B4MgB4 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 Tcs.