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

TL;DR

This study uses density functional theory to analyze the electron-phonon interactions in 1T MoS2, revealing its superconducting properties and how pressure influences its transition temperature.

Contribution

First-principles calculations of electronic, phononic, and superconducting properties of 1T MoS2, including pressure effects, aligning well with experimental data.

Findings

1T MoS2 exhibits electron-phonon mediated superconductivity.

Superconducting transition temperature slightly increases then decreases with pressure.

Computed Tc agrees with recent experimental measurements.

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.