Hexagonal Borophene Stabilized by Mixed Doping: Structure, Stability, and Electronic and Mechanical Properties

Using DFT calculations, it has been demonstrated that the hexagonal honeycomb borophene can be stabilized by mixed doping in the B6Ga2Mg4 system, where a flat sheet of borophene is placed between two layers formed by magnesium and gallium atoms. B6Ga2Mg4 is a relatively soft material with metallic conductivity. Evaluation of the thermodynamic stability of this compound shows that melting will occur at temperatures above 1200 K.