Biased nanoelectronic device simulation

[carbon9]

Hi,

I wonder if there is a Density Functional Theory or Hartree-Fock Theory based atomistic simulator that can be used to simulate nanoelectronic devices for example nano-scale field effect transistors?

I looked at the documentations of SIESTA and other DFT software listed at https://www.physicsforums.com/showthread.php?t=132559&highlight=siesta but none of them mentions to be able to simulate these electronic devices, i.e. deices or systems under electrical bias. Do you know any software to simulate biased nanoelectronic devices?

Regards,

 

[thuong]

Hi,

This might help

http://www.koders.com/

However, you can write a simple code by solving Possion and Schrödinger equations self-consistently.

Bests,

 

[thuong]

Time-dependent DFT can describe quantum transport in some molecular devices.
For traditional FET, my last post can be the answer, in this case, DFT is very tough!