Superconductivity of monolayer Mo${}_2$C: the key role of functional groups

Abstract

Monolayer Mo${}_2$C is a new member of two-dimensional materials. Here the electronic structure and lattice dynamics of monolayer Mo${}_2$C are calculated. According to the electron-phonon interaction, it is predicted that monolayer Mo${}_2$C could be a quasi-two-dimensional superconductor and the effects of functional-groups are crucially important considering its unsaturated surface. Despite the suppressed superconductivity by chalcogen adsorption, our most interesting prediction is that the electron-phonon interaction of monolayer Mo${}_2$C can be greatly enhanced by bromine absorbtion, suggesting that Mo${}_2$CBr${}_2$ as a good candidate for nanoscale superconductor.

6 pages, 6 figures

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