Fig. 3: Crystal structure and electronic states of I4/mmm phase.
From: Structural phase transition and superconductivity hierarchy in 1T-TaS2 under pressure up to 100 GPa
a Rietveld refinement of XRD data taken at 96.3 GPa using the I4/mmm structure. The inset of a shows the structure of I4/mmm TaS2. b Calculated band structure and c calculated phonon dispersion of the I4/mmm phase at 90 GPa. The red dashed line shows the Fermi level (EF). The red areas show the electron–phonon coupling (EPC), with the width proportional to the respective strength. d Eliashberg spectral function, α2F(ω) (left vertical axis), and electron–phonon integral, λ(ω) (right vertical axis).
