Electron-Phonon Mediated Superconductivity in 1T MoS2 and Effect of Pressure on the Same

Abstract

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 alpha2Fomega and electron-phonon coupling constant lambda from the same. The superconducting transition temperature (Tc) computed within the McMillan-Allen-Dynes formula is found in good agreement with the recent experimental report. We have also evaluated the effect of pressure on the superconducting behavior of this system. Our results show that 1T MoS2 exhibits electron-phonon mediated superconductivity and the superconducting transition temperature rises slightly with pressure and then decreases with further increase in pressure.

arXiv comment16 Pages

References in corpus (11)

• Conventional superconductivity at 203 K at high pressures
• Superconductivity at 250 K in lanthanum hydride under high pressures
• Electron-phonon interactions from first principles
• Superconducting hydrides under pressure
• Structure Re-determination and Superconductivity Observation of Bulk 1T MoS2
• Superconductivity up to 243 K in yttrium hydrides under high pressure
• Superconductivity above 100 K in PH3 at high pressures
• Conventional superconductivity at 190 K at high pressures
• Superconductivity at 215 K in lanthanum hydride at high pressures
• Low temperature phase diagram of hydrogen at pressures up to 380 GPa. A possible metallic phase at 360 GPa and 200 K
• Comments on the claimed observation of the Wigner-Huntington Transition to Metallic Hydrogen