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.

arXiv comment6 pages, 6 figures

References in corpus (9)

• Quantum ESPRESSO: a modular and open-source software project for quantum simulations of materials
• Superconductivity in single-layer films of FeSe with a transition temperature above 100 K
• Hybrid Density Functional Study of Structural and Electronic Properties of Functionalized \ce{Ti_{n+1}X_n} (X= C, N) monolayers
• Anisotropic intrinsic lattice thermal conductivity of phosphorene from first principles
• Large-Gap Two-Dimensional Topological Insulator in Oxygen Functionalized MXene
• Manipulation of electronic and magnetic properties of M${}_2$C (M=Hf, Nb, Sc, Ta, Ti, V, Zr) monolayer by applying mechanical strains
• A new 2D monolayer BiXene, M2C (M=Mo, Tc, Os)
• Strain enhanced superconductivity of Mo$X_2$ ($X$=S or Se) bilayers with Na intercalation
• Prediction of above $20$ K superconductivity of blue phosphorus bilayer with metal intercalations

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