QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: Ankur Jha on October 30, 2014, 21:07

Title: query regarding making a cnt fet in atk vnl
Post by: Ankur Jha on October 30, 2014, 21:07

Hello everyone...
I wish to design a cnt fet in atk for which i am trying to insert a cnt into cubic zirconia (ZrO2). But I am unable to drill a perfect tunnel through ZrO2.
I also wish to know whether ZrO2 can exist as a nanotube or not. Please do reply to this post to suggest me a way out of this problem.

Thank You

Title: Re: query regarding making a cnt fet in atk vnl
Post by: Umberto Martinez on October 31, 2014, 16:02

In the Builder, you can:
- import the ZrO2 structure from the database
- from Bulk Tools -> Supercell, transform to conventional
- from Bulk tools -> Repeat your structure in the three direction in order to make a structure large enough to accommodate the nanotube.
- use one of the selection tools available to delete atoms and "drill" a tunnel http://quantumwise.com/documents/tutorials/latest/BuilderManual/index.html/chap.plugins.html#sect2.plugins.panel.select


You should look into the relevant scientific literature to know whether a zirconia nanotube exists or not.