[Pw_forum] experimental Dit values versus DFT values

Duy Le ttduyle at gmail.com
Wed Aug 17 16:00:42 CEST 2011

I wonder
1. how do you define a Dit?
2. how does the definition compare to the LDOS of atoms at the interface?
Duy Le
PhD Candidate
Department of Physics
University of Central Florida.

"Men don't need hand to do things"

On Wed, Aug 17, 2011 at 9:31 AM, mashiat alaaii <mashiatalaaii at gmail.com> wrote:
> Dear All,
> This is my second email and I highly appreciate your help in this regard.
> 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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