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Replies : 0 Last Post : August 24, 2006 (Thu) 18:18:33
finite dos within energy gap of ZnS
Posted on : August 24, 2006 (Thu) 18:18:33
by Sushi Auluck
i have just calculated the dos for zns in the fcc lattice (no cpa)
after doing a scf calculation. when i calculate the dos i do find
a finite dos within the energy gap region. for a semiconductor the
dos is zero between the top of the valence bands and bottom of the
please suggest how this can be made zero.