Liao Ji-Hai, Zhao Yin-Chang, Zhao Yu-Jun, Xu Hu, Yang Xiao-Bao
Department of Physics, South China University of Technology, Guangzhou 510640, P. R. China.
Phys Chem Chem Phys. 2017 Nov 8;19(43):29237-29243. doi: 10.1039/c7cp06180c.
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.
