QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: lknife on July 13, 2017, 02:58

Title: How to get the transmission pathway
Post by: lknife on July 13, 2017, 02:58

Dear ATK experts,

I calculated the I-V curve of a device using ATK SE: Huckel method. The ATK version for calculating the IV curve is 2015.1. All the self-consistent-configuration were saved in one .nc file with different ID. After the IV calculation, I wanted to have a look at the transmission pathway under a certain bias. So I used "analysis from file" block and calculated the transmission pathway for each of the self-consistent-configuration. However, the transmission pathway obtained were not correct, I think. Please see the attached IV curve and one of the transmission pathways (all the others are similar).  I don't know what's wrong with the transmission pathway calculation, since the IV curve is a normal one and there must be something transported through the device. Why I cannot get the correct transmission pathway result?

I am looking forward to your kind help! Thank you very much for your time!

Title: Re: How to get the transmission pathway
Post by: lknife on July 15, 2017, 04:43

can anybody here help me with this problem? Thanks a lot for your kind help!

Title: Re: How to get the transmission pathway
Post by: Anders Blom on July 15, 2017, 08:35

Just lower the threshold. All transmission values are below 0.05, consistent with the fact that you have basically zero current and transmission, as seen from the T(E) curves. 0.0004 nA is, for practical purposes, no current at all (unless you are really looking for the off-state of some device).

Title: Re: How to get the transmission pathway
Post by: lknife on July 15, 2017, 21:29

Thank you for your explanation. Although the IV curve shows a normal shape, the current is indeed very small. I'll try other transmission pathway results.