Fig. 7: Theoretical calculations.
From: Observation of superconductivity in structure-selected Ti2O3 thin films

a, b Density of states (DOS) calculated using HSE for Ti2O3-LT (U = 0 eV) and Ti2O3-HT (U = 3 eV). c Bandgaps calculated using both GGA+U and HSE methods. The HSE method clearly gives a better description of the experimental data. d Phonon dispersion spectrum, e Total phonon DOS, and f Eliashberg function, α2F(ω) (solid line), and frequency-dependent electron-phonon coupling, λ(ω) (dashed line), calculated for relaxed Ti2O3-HT. g TC of the two Ti2O3 phases calculated using different μ* values