Author Topic: Spin polarised calculation using extended Huckel theory  (Read 79 times)

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Offline johndonald

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Dear Sir/Ma'am,
I am trying to do spin polarised device iv calculation using Extended Huckel Theory.  I am able to get spin polarised transmission spectrum but I'm not able to get the spin polarised current. Is there any alternate script file to extract the spin polarised current?
And also, I wanted to calculate  the TMR value for my device structure. I used both parallel and antiparallel initial state. When I completed the calculation, the results of both the parallel and antiparallel configurations were same. I used EHT for the TMR analysis. I'm attaching my script file below for your reference.

Offline Tue Gunst

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Re: Spin polarised calculation using extended Huckel theory
« Reply #1 on: April 27, 2021, 13:58 »
Hi,
I see that you use the IVcharacteristics object so I think this is the way to do it from that point of:
The IVcharacteristics has a method ".transmissionSpectrum(gate_source_voltage, drain_source_voltage)" that retrieves the TransmissionSpectrum for the updated configuration for the given gate-source and drain-source voltages.
See: https://docs.quantumatk.com/manual/Types/IVCharacteristics/IVCharacteristics.html
The TransmissionSpectrum can the be used to evaluate the current through the method ".current(electrode_voltages=None, electrode_temperatures=None, spin=None)" function of that object.
See: https://docs.quantumatk.com/manual/Types/TransmissionSpectrum/TransmissionSpectrum.html