Hi,Everyone:
Recently,I have done some calculations about metallic oxide(incluing elements of La Sr Co Fe and O) with CASTEP to study differences between Crystal bulk and surface, band and density of states were calculated as displayed in figure 1. A, B, C, D are surface models. Obviously,compared to the bulk, the peaks of conduction band above Fermi surface in PDOS all go up. So, how to analysize activities of crystal surface by using the DOS changes?

Any help will be appreciated.

Thanks in anvance.

Sincerely
Li