The figure attached here shows the electronic band structure of TiO2. Projected onto the band structure the weights of electronic orbitals. Such a representation helps us visualize the orbital content of bands a given energy range. In the figure, pink, blue and green colors are the projection of Oxygen px, py and pz orbitals, respectively, on to the valence bands. Similarly, for conduction band, red, orange and brown colors represent projections (weights) of Titanium 3d-xy, 3d-yz+3d-xz , and 3d-eg orbitals.

Considering the band structure, the optical gap(direct) comes along the Gamma-Z direction in the Irreducible Brillouin zone. Given this information and projected band structure in the Gamma-Z region, how one can deduce the selection rules for optical transitions?

How can one say for which polarization of incident light the first band gap excitation occurs? What happens when other polarization are used? What are the selection rules governing the phenomena?

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