I'd like to compare my simulation result of a TiO2-110 surface's electronic structure, but all the literature shows too many different results, so I'd like to look for a database for surface electronic structure. Is there any database for this purpose?

I am struggling to figure out the relationship between bandgap value and surface states. To my understanding, when considering the material that includes surface, there would be some surface states in the bandgap or near the VBM/CBM, which often causes the bandgap to decrease. According to my te...

I tried to calculate the bandgap of the TiO2-Rutile bulk phase, DFT(not +U) calculation shows the bandgap is about 1.8eV, which is roughly the same as the 1.78eV on the Material Project. When calculating the TiO2-Rutile -110 slab, whether +U or not +U, the bandgap is about 1.3eV, which is 0.5eV s...