Figure 6
From: Metallic ground states of undoped Ti2O3 films induced by elongated c-axis lattice constant
Lattice deformation induced MIT from DFT calculation. Plots of the energy gap at EF from DFT + U calculations with U = 2.2 eV as a function of c/a ratios. The inset shows plots of the energy gap at EF in bulk Ti2O3 (c/a = 2.639) as a function of U values.
