[Wien] Surface states

[Kyoo Kim]

Dear Francisco,

 

How about checking partial DOS or fat bands for the surface atoms. 

You can draw your bulk calculation results on top of slab calculation
results.

If the thickness of bulk is enough, you can identify some bands which are
similar to bulk one.

And the variations from bulk can be thought as surface effects which proceed
and dissipate from surface up to some layers into the center of slab.

Usually for the very surface-wise atom, it looks quite different from bulk
one because of the absence of neighbor.

 

Kyoo.

Department of Physics.

Rutgers.

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