Electron-phonon coupling and exchange-correlation effects in superconducting ${\mathrm{H}}_3\mathrm{S}$ under high pressure

Matej Komelj, Henry Krakauer

We investigate the ${\mathrm{H}}_3\mathrm{S}$ phase of sulphur hydride under high pressure $\simeq$ 200 GPa by means of {\it ab-initio} calculations within the framework of the density-functiona…