Fig. 2: Electron, phonon, and superconducting properties for the covalently-bonded materials.
From: Full-bandwidth anisotropic Migdal-Eliashberg theory and its application to superhydrides
Panel (a) shows the calculated electronic band structure and DOS with respect to the Fermi energy εF for H3S and D3S at 200 GPa. The solid blue lines represent the DFT bands, the dashed red lines the Wannier bands, the solid black line the total DOS, the shaded coloured areas the projected DOS for hydrogen s (H-s) and sulfur s and p states (S-s, S-p), and the dashed black line indicates εF. Panel (b) shows the phonon dispersion (solid blue), the phonon density of states (PDOS, solid black) and its elemental contributions (shaded green and purple), the isotropic Eliashberg spectral function α2F(ω) (shaded ochre), and the cumulative electron-phonon coupling parameter λ(ω) (solid black). Panel (c) displays the distribution of the values of the anisotropic superconducting gap Δnk on the Fermi surface according to the FSR (blue), FBW (red), and FBW+μ (green) implementations for the Migdal-Eliashberg equations. Panels (d, e) show the corresponding results for D3S at 200 GPa.
