QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: Roy on September 18, 2012, 06:22

Title: Nanomesh Design
Post by: Roy on September 18, 2012, 06:22

Hello Everyone,
I am a new user of ATK. I want to design a Nanomesh (neckwidth= 4nm). What are the steps to design this and what will be the periodicity if the nanomesh length is 10 nm.

Title: Re: Nanomesh Design
Post by: mads.engelund on September 18, 2012, 09:19

Graphene nanomesh right?
I would start by making a perfect graphene structure of the correct size. Find graphen in the database and use Repeat or SuperCell plugin to give it the correct size. Then use the circular selection tool to select all the atoms in the hole and then delete them by pressing delete.

Title: Re: Nanomesh Design
Post by: Roy on September 20, 2012, 19:17

Thanks for the information. I really found it useful.

Title: Re: Nanomesh Design
Post by: Roy on September 21, 2012, 08:20

Can anyone please tell me how to add gate in ATK 12.2.2 and how to change the material and insulator as well?

Title: Re: Nanomesh Design
Post by: mads.engelund on September 21, 2012, 10:55

Gates are added under Miscellaneous/Spatial Regions.
Regions are added by right clicking the list and the potential can by adjusted by editing directly.

Title: Re: Nanomesh Design
Post by: Roy on September 24, 2012, 08:34

Thanks for your reply.
 I want to design a graphene nanomesh of (4*4). But i am not getting how to determine the neckwidth and periodicity of the nanomesh.
please help.

Title: Re: Nanomesh Design
Post by: zh on September 24, 2012, 15:22

For a graphene nanomesh, it is an object like a cluster and there is no periodicity. So it can be treated as a molecular configuration. If it is treated as bulk configuration, the vacuum region should be chosen to be large enough (e.g., 10 angstrom or more than 10 angstrom).

Title: Re: Nanomesh Design
Post by: Roy on October 9, 2012, 07:31

Thanks for the information.
 Actually in my device i want to use graphene oxide as the dielectric. But i am not getting how to make it in ATK.
Please Help. Thank You.