Dear Maksym,

Do you want to calculate energy band structure of pure titania?

Dear Jaafar,

Actually no. I need to use intrinsic energy level values in my simulations for titania based solar cells. The intrinsic energy level formula I have found is very general for all semiconductors and I am not sure if I can use it for titania. So I wondering if anyone used and verified any calculations for titania.

Google scholar --> TiO2 band structure -->

Theory: http://journals.aps.org/prb/abstract/10.1103/PhysRevB.82.045106

Experimental (review): http://pubs.acs.org/doi/abs/10.1021/cr00035a013

The measured band-gap of titanium dioxide (titania) = 3.1 - 3.5 eV; the hole effective mass = 0.3 - 0.5m; the electron effective mass = 1.3m; the refractive index = 2.3 - 2.7.  

Dear Mr. Kornblum 

Thanks for all the links. Much to think about, and good resources you mention.

Best regards,

Maksym P.

Dear Mr. Samares

Thank you a  lot for giving specific values for titania. I have found some of them, but they alter from one article to another. Your data really helps.

Best regards,

Maksym P.