Dear all,
I tried to calculate the layer-resolved DOS of the metal-semiconductor interface.
To investigate the interfacial character, I calculated layer-resolved DOS of Au and TiO2 and finally got the DOS shown in below.
The rank of curves (or atom) is following the distance from the interface.
One thing I wonder is the characteristic feature of 1st Au which is Au atom at the interface.
As you can see on the figure, 1st Au has enhanced population of DOS at around 1 ~ 2 eV region (above the fermi level).
I guess that the enhanced DOS above the femi level could be the evidence of localization of hot electron at the interface upon photo excitation of electron (just guess).
How can I interprete this feature? Is there any proper reference to interprete this feature?
Thank you.
Regard,
Poltast