Abstract
Mo (=S or Se) is a semiconductor family with two-dimensional structure. And a recent calculation predicted the superconductivity in electron doped MoS monolayer. In this work, the electronic structure and lattice dynamics of Mo 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 a superconductors by Na intercalation. More interestingly, the biaxial tensile strain can significantly enhance the superconducting temperature up to K in Na-intercalated MoS. In addition, the phonon mean free path at room-temperature is also greatly improved in Na intercalated MoSe, which is advantaged for related applications.
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