Transmission and Current not Proportional

Asked by Emerald James on 2019-10-13

Hello Dr Papior,

I'm conducting spin transport study using the Siesta suite (4.1-b4). But when analysing the TBtrans output, I see that the current and the transmission reported are not proportional. Surfing through the previous questions, I found question #684471 where you've referenced your work.

1. Is it possible that current is not directly proportional to transmission?
2. If I have to compute current using the given equation, where can I find the Fermi distribution specific to my material/temperature? Are they output to some files by TBtrans?


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Nick Papior (nickpapior) said : #1

1. The current and transmissions are not proportional (only if the transmission is constant).
2. You entered the ElectronicTemperature in the fdf file, this is the temperature for the electrodes, however, you can specify individual temperatures per electrode as described in the manual. Also, the tbtrans output clearly prints out the temperature
tbt: Electronic temperature = 299.986869 K

This is printed *per electrode*.

Please carefully go through your tbtrans output file. It is not that long and there are many useful print-outs.

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