Topics

1

General Questions and Answers / Local density of state for a unit cell

« on: September 25, 2018, 05:48 »

Dear QuantumATK staffs,
From online tutorials and documentation of QuantumATK, I know that it is possible to calculate Local Device Density of State for a device configuration. However, I did  not find solutions for Local Density of states of a unit cell.
Please help me to solve my problem.
Thank you so much for your attention.
Trung Phuc.

2

General Questions and Answers / Heterojuction band structure

« on: September 10, 2018, 11:04 »

Dear QuantumWise staffs,
I would like to calculate band structure of a heterojunction configuration. However, I am curious that Do I just create a unit cell or a device of heterojunction?
Thank you very much for your attention.

3

General Questions and Answers / Band structure of electrode at finite bias voltage

« on: June 20, 2018, 12:04 »

Hi administrator!
From previous posts, I know that ATK  can help users calculate band structure of electrode at zero bias voltage. However, after spending time reading manuals and tutorials, I do not know the way to calculate the band structure of the electrode in device at finite bias voltage. My configuration (attached below) is zigzag graphene nanoribbon passivated by P atoms.
I really want to find the solution for this issue because I plan to explain the changes of transmission spectrum of device when applying bias voltage by the transformation of electrode band structure.
Thank you so much for your help.

4

General Questions and Answers / Penta-graphene nanoribbon

« on: October 12, 2017, 17:36 »

Hello administrators!
I am a new user of quantumwise. After reviewing your previous posts about how to create penta-graphene. I tried to make penta-graphene ribbon like this paper (attached below). Personally, I think my outcome (attached below) looks not bad. However, I had 2 problems:
+ Could not passivate one carbon atom with one hydrogen atom.
+ Could not repeat this unit cell to obtain a penta-graphene ribbon.
Thank you so much for your attention!