[Pw_forum] experimental Dit and theoretical Dit
mashiat alaaii
mashiatalaaii at gmail.com
Mon Aug 15 20:02:20 CEST 2011
Dear All,
I am working on Si/SiO2 system, at the moment.
1. I was wondering whether the sum of all LDOS calculated from projected
wavefunction on the Si at the interface can give me the density of interface
states. The question is whether the sum of LDOS of projected wavefunction on
the inter-facial atoms is equivalent to planar local density of state at the
interface.
2. If positive, the sum of LDOS of all projected wavefunction on all
atoms at the interface divided by the surface of the interface is by far
higher than the Dit reported from experiment. Actually, I am thinking, no
matter how big the structure is, the Dit is still very high. I was wondering
whether I miss any point to consider for calculation.
I really really appreciate your help.
Have a great summer.
M Alaaii
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