QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: mantun on June 25, 2014, 15:17

Title: voltage drop
Post by: mantun on June 25, 2014, 15:17

I make a calculation about the voltage drop. I found that the voltage drop along the z direction　(transportate direction) is not the bias adopted? What's the reason? From the color bar, i see the max and min value is 0.018 and -0.018V respectivly. But the bias loaded is 1V.

Title: Re: voltage drop
Post by: Umberto Martinez on June 25, 2014, 17:18

Some more details would be helpful.
However, seems that the potential you plot is given in unit of Hartree.
The potential drop is thus 0.018Ha ~ 0.5 eV corresponding to the applied bias voltage

Title: Re: voltage drop
Post by: mantun on June 26, 2014, 04:27

I see. It's very likely the unit is Ha in the colorbar. Many thanks

Title: Re: voltage drop
Post by: mantun on July 7, 2014, 08:43

Quote from: mantun on June 26, 2014, 04:27

I see. It's very likely the unit is Ha in the colorbar. Many thanks

By the way, How can i change the unit from Ha to V in the color bar

Title: Re: voltage drop
Post by: mantun on July 7, 2014, 14:25

Quote from: Umberto Martinez on June 25, 2014, 17:18

Some more details would be helpful.
However, seems that the potential you plot is given in unit of Hartree.
The potential drop is thus 0.018Ha ~ 0.5 eV corresponding to the applied bias voltage

By the way, How can i change the unit from Ha to V in the color bar

Title: Re: voltage drop
Post by: Umberto Martinez on July 7, 2014, 14:53

Unfortunately you cannot do it with the current release.
We will consider to implement this option in the future though.

Consider studying how to handle 3d-grids with these examples:
http://www.quantumwise.com/documents/manuals/latest/ReferenceManual/index.html/ref.electrondifferencedensity.html
http://www.quantumwise.com/documents/manuals/latest/ReferenceManual/index.html/ref.electrostaticdifferencepotential.html

Title: Re: voltage drop
Post by: mantun on July 8, 2014, 03:36

Quote from: Umberto Martinez on July  7, 2014, 14:53

Unfortunately you cannot do it with the current release.
We will consider to implement this option in the future though.

Consider studying how to handle 3d-grids with these examples:
http://www.quantumwise.com/documents/manuals/latest/ReferenceManual/index.html/ref.electrondifferencedensity.html
http://www.quantumwise.com/documents/manuals/latest/ReferenceManual/index.html/ref.electrostaticdifferencepotential.html

But i see the example in your tutorial is exhibite with unit V? Do you mean that i have to write the python scripts to convert the unit?

Title: Re: voltage drop
Post by: Anders Blom on July 16, 2014, 05:42

I suggest editing the text on the colorbar (under Properties) to make the numbers and unit consistent. Anyway, changing the unit would not have any effect on the plot, just the numbers on the colorbar.

Title: Re: voltage drop
Post by: mantun on July 18, 2014, 04:19

You are  right. Thanks!