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A recently experimental discovered (Cheng  et al. , Phys. Rev. Lett. 114, 117001 (2015)) of superconductivity on the border of long-range magnetic order in the itinerant-electron helimagnet MnP via the application of high pressure makes MnP the first Mn-based superconductor. In this paper, we carry out first-principles calculations on MnX (X = N, P, As, Sb) and find superconducting critical temperature  T  C  of MnP sharply increases near the critical pressure P C  ≈ 8 GPa, which is in good agreement with the experiments. Electron-phonon coupling constant  λ  and electronic density of states at the Fermi level  N  ( E  F ) are found to increase with pressure for MnP, which lead to the increase of  T   C   of MnP. Moreover, we also find that the  T   C   of MnAs and MnSb are higher than MnP, implying that the MnAs and MnSb may be the more potential Mn-based superconducting materials.

Pressure dependence of electronic structure and superconductivity of the MnX (X = N, P, As, Sb)