QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: gump on July 8, 2009, 08:09

Title: bilayer graphene nanoribbon and two-probe system
Post by: gump on July 8, 2009, 08:09

Hi,everybody,do anyone has the script to create bilayer graphene nanoribbon? and can we use
the bilayer graphene nanoribbon to build two-probe system and calculate transport properties
with ATK? I will appreciate if anybody give me the clue or some reference papers.

Title: Re: bilayer graphene nanoribbon and two-probe system
Post by: zh on July 8, 2009, 16:51

A script for generating graphene nanoribbon has been demonstrated here:
http://www.quantumwise.com/products/12-products/16-graphene-studies-with-atk (http://www.quantumwise.com/products/12-products/16-graphene-studies-with-atk)
http://www.quantumwise.com/documents/tutorials/graphene_ribbon.py (http://www.quantumwise.com/documents/tutorials/graphene_ribbon.py)

You may try to modify it by adding more one graphene layer to obtain the bilayer graphene nanoribbon. For the atomic positions in this second graphene layer,  only the z-coordinations of atoms are different to those in the first graphene layer if we consider a bilayer graphene with ABAB stacking.

Quote

and can we use the bilayer graphene nanoribbon to build two-probe system and calculate transport properties with ATK?

Of course, you can do it as usual.

Title: Re: bilayer graphene nanoribbon and two-probe system
Post by: gump on July 9, 2009, 09:15

Zh,Thank you very much for your kind  assistance.