[DFTB-Plus-User] 2 questions regarding transport: heterostructures and scattering

[Gabriele Penazzi]

Dear Yasin,

there's no constrain in the DFTB+NEGF code which would prevent you from 
doing that, however I'm not aware of any parametrization which include 
this class of materials. If there's any, than you can use it for 
transport calculation as well.

Phonon scattering is not included in the distributed version, it's under 
development.

Phase-conserving scattering can be calculated, therefore you can 
simulate impurities assuming that you've the right parametrization for 
that and you can definitely calculate surface roughness scattering.

Best,

Gabriele



On 12/19/2012 07:35 AM, Yasin Khatami wrote:
> Hello,
>
> I'm wondering if the heterostructures are supported in DFTB+ NEGF. For 
> example can I simulate a InAs/InGaAs or InAs/Si structure?
> Also is there a way to include phonon scattering and other types of 
> scattering such as surface roughness and impurity scattering?
>
>
> Thanks,
> Yasin
> _______________________________________________
> DFTB-Plus-User mailing list
> DFTB-Plus-User at dftb-plus.info
> http://www.dftb-plus.info/mailman/listinfo/dftb-plus-user


-- 
Dr. Gabriele Penazzi
BCCMS - University of Bremen

http://www.bccms.uni-bremen.de/
http://sites.google.com/site/gabrielepenazzi/

phone: +49 (0) 421 218 62337
fax: +49 (0) 421 218 62770