Strain-enhanced superconductivity of MoX2(X=S or Se) bilayers with Na intercalation.

MoX2(X=S or Se) is a semiconductor family with two-dimensional structure. And a recent calculation predicted the superconductivity in the electron-doped MoS2 monolayer. In this work, the electronic structure and lattice dynamics of MoX2 bilayers with monolayer Na intercalated have been calculated. According to the electron-phonon interaction, it is predicted that these bilayers can be transformed from indirect-gap semiconductors to superconductors by Na intercalation. More interestingly, the biaxial tensile strain can significantly enhance the superconducting temperature up to ~10 K in Na-intercalated MoS2. In addition, the phonon mean free path at room temperature is also greatly improved in Na-intercalated MoSe2, which is advantageous for related applications. [ABSTRACT FROM AUTHOR]