Energy band structure of TiO2 and it's dependence on uniaxial stress

The electronic band structure of titanium dioxyde is calculated. The evolution of the levels and of the optical transitions under an uniaxial stress along the c axis has also been calculated.We confirm the existence, of a first order forbidden direct optical gap, and of a maximum along the Δ direction; the theoretical pressure coefficients ?E/?P for the Γ⁺₇ → Γ⁺₆ and Δ₅ (max) → Γ⁺₆ transitions are respectively 0.600 and 0.950 meV kbar^-1 while the corresponding experimental values are 0.625 and 0.985 meV kbar^-1.