Abstract
We first used Bethe lattice method and coherent potential approximation method to calculate the densities of bulk and surface states for a–Si, a–Si:H. The ideal vacancies were also studied. The results agree with experiments and other works. Dihedral disorder contributes to the submerging of a peak and sp peak of the valence band. In hydrogenated case, extra structure appears in the spectrum of densities of surface states. Doped hydrogen affects the densities of bulk states in the gap in principle, but hydrogen is not important for densities of surface states in the gap. Finally, we obtained self-energies which are in good agreement with the empirical results from experiments and other methods[1].
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