Electron-phonon mediated superconductivity in 1T − MoS2 and effect of pressure on its transition temperature

Density functional theory (DFT) based ab-initio calculations of electronic, phononic and superconducting properties of 1T − MoS2 are reported. The phonon dispersions are computed within density-functional-perturbation-theory (DFPT). We have also computed Eliashberg function α2F(ω) and electron-phonon coupling constant λ from the same. The superconducting transition temperature (Tc) computed within McMillan-Allen-Dynes formula is found in good agreement with recent experimental reports. We have also evaluated effect of pressure on the superconducting behaviour of this system. Our results show that 1T − MoS2 exhibit electron-phonon mediated superconductivity and the superconducting transition temperature rises slightly with pressure and then decrease with further increase in pressure.