Messages

1

General Questions and Answers / Re: About contact resistance

« on: April 4, 2013, 10:21 »

Sir,
I tried another length to see whether it corresponds to any of the contact resistance calculated. I used 20 repetitions of (7,0) CNT with same lengths from Au contact and got 3.1M ohm as the resistance.

Kindly can you please tell me what I am doing wrong
The three device structures can be seen in the figure below.

2

General Questions and Answers / Re: About contact resistance

« on: April 3, 2013, 12:22 »

I used builder to setup the geometry. The number of repetitions used were 2 and 5 for the different cases. I used DFT with the default settings for self-consistency and for transmission calculation.

3

General Questions and Answers / About contact resistance

« on: April 2, 2013, 21:24 »

I used (7,0) CNT with gold electrodes to see the contact resistance. I found out that using different repetitions gave me different result. Can you please tell me why this is happening as the CNT is ballistic and I just changed the number of unit cells (UC) keeping the distance at ends, the same.

I used 5 UC and got ~45k, but when I used 2 UC, I got ~18.2k. Kindly need your help in this regard.

4

Scripts, Tutorials and Applications / Re: I-V curve tutorial problem

« on: January 9, 2012, 03:08 »

Thank you. It solved the problem.

5

Scripts, Tutorials and Applications / I-V curve tutorial problem

« on: January 8, 2012, 21:34 »

I am using the mini-tutorial for I-V curve
http://www.quantumwise.com/publications/tutorials/mini-tutorials/98-i-v-curve-and-voltage-drop#appendix

and have downloaded the 'lih2li_iv_scf.nc' file and using the 'lih2li_iv_analysis.py' file to run it, and I am getting the error:

Traceback (most recent call last):
  File "c:\users\hasan~1\appdata\local\temp\1399686007874424.py", line 14, in <module>
    calculator = configuration.calculator() 
AttributeError: 'list' object has no attribute 'calculator'

I have even tried with the absolute path-name of the files.

What could possibly have gone wrong?