Fermi level pinning in thin layer oxide-semiconductor interface

[sitangshu]

Dear Sir,

Is there an option to study the Fermi level pinning between a thin layer oxide-semiconductor bulk interface in quantumwise? I do understand that one has to optimize the geometry, annealing process, etc. to come down to the max. forces.  Assuming, this has been done, what could be the next step in quantumwise in order to study the neutral level (below which all staes are donor type and above which all states are acceptor type (deep donors and deep acceptors) in the band gap). The reason for this is if you know this neutral level, then there is a way to find the interface surafce state density Dit.

Thanks.
Sitangshu

[kstokbro]

Take a look at the tutorial:
http://www.quantumwise.com/publications/tutorials/item/820-ni-silicide-si-interfaces

We have applied same procedure to investigate interface traps in the AlGaAs-Al2O3 interface, see attachment

[sitangshu]

Can you mention me the paper title where you have published this. We need to follow the procedure to get this picture. This is exactly what we need ... Currently, we are optimizing the geometry.

Thanks..

[Dipankar Saha]

If you scroll down...... at the end of the tutorial...you will find the relevant References___

 [1] Geng Li et al. "Ab Initio Modeling of Schottky-Barrier Height Tuning by Yttrium at Nickel Silicide/Silicon Interface" IEEE ELECTRON DEVICE LETTERS 29, 746 (2008)
[2] Geng Li et al. "Fermi Level Unpinning and Schottky Barrier Modification by Ti, Sc and V Incorporation at NiSi2/Si Interface" CHINESE PHYSICS LETTERS 26, Issue 3 (2009)
[3] Geng Li et al. "Image Charge and Dipole Combination Model for the Schottky Barrier Tuning at the Dopant Segregated Metal/Semiconductor Interface"  IEEE ELECTRON DEVICE LETTERS 30, 963 (2009)
 [4] E. Kasper, D.J. Paul "Silicon Quantum Integrated Circuits" Springer Science & Business Media, Mar 30, 2006.
[5] M. Brandbyge, J.-L. Mozos, P. Ordejón, J. Taylor, and K. Stokbro, "Density-functional method for nonequilibrium electron transport" Phys. Rev. B 65, 165401 (2002)

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Besides,  it's worth mentioning.___

Almost  a similar kind of problem...though that is for Metal-S.C. ...has already been reported in....

http://pubs.acs.org/doi/abs/10.1021/nl403465v

Atleast, you can go through the metodology that they followed...!!!

Regards_
Dipankar