Siesta

Can TranSiesta model heterogeneous interfaces?

Asked by Jingyang Wang

Dear SIESTA users,

I'm new to SIESTA, and I need to find out if TranSIESTA can calculate the transport properties of a heterogeneous junction (e.g. metal/semiconductor junction)? Thanks a lot!

Best regards,

Jingyang Wang
Ph.D. candidate, School of Applied and Engineering Physics
Cornell University

Question information

Language:
English Edit question
Status:
Answered
For:
Siesta Edit question
Assignee:
No assignee Edit question
Last query:
Last reply:
Revision history for this message
Nick Papior (nickpapior) said : 		#1

Heterogeneous junctions are very hard to calculate using the NEGF scheme.

However, if you apply the same considerations as done in this article:

http://journals.aps.org/prb/references/10.1103/PhysRevB.93.155302

you should be able to use transiesta as well.

Can you help with this problem?

Provide an answer of your own, or ask Jingyang Wang for more information if necessary.

To post a message you must log in.