I-V curve

[Jahanzaib]

Hello Expert,
Could anyone please provide guidance on the recommended procedure for obtaining the current-voltage (I-V) curve in the context of quantum transport calculations? Specifically, I would like to understand if it is necessary to calculate the transmission spectra (at zero or finite bias) beforehand and subsequently utilize the .hdf5 file containing the transmission data for the construction of the I-V curve or we directly calculate I-V curve.

Your expertise in this matter would be greatly appreciated.

Thank you

[filipr]

There is an automated workflow for this, see the tutorial: https://docs.quantumatk.com/tutorials/ivcharacteristics/ivcharacteristics.html

[Jahanzaib]

Thank you so much for guidance. I think I couldn't explain what I meant - sorry for that.

I am interested to know  it is necessary to calculate the transmission spectra (at zero or finite bias) first then subsequently utilize the .hdf5 file to calculate I-V curve or we can do I-V curve separately for devices (no need to utilized .hdf5 file of transmission spectra).

[Anders Blom]

The current is the integral of the transmission spectrum, so you cannot compute the I-V without calculating the transmission spectrum