Author Topic: Transmission spectrum of spin transport question  (Read 83 times)

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Offline Resolution

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Transmission spectrum of spin transport question
« on: September 5, 2020, 08:33 »
I started to run a spin  transport calculation of the molecules with 86 atoms. Due to the deficiency calculating resource in my department, I only used two different metal atom chains as electrodes, the one is Nickel, to inject the  spin, the other is Gold. It ran well. However it always happened to something strange in my spin transmission spectrum. No matter how I change my model, some of the real-up down and imag-up-down transmission  coefficient are nagative. I do not know if whether this phenomenon is caused by my asymmetry electrodes or other reasons.  I am a new beginner. Would you tell me what is the problem here?

Offline Petr Khomyakov

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Re: Transmission spectrum of spin transport question
« Reply #1 on: September 9, 2020, 13:31 »
Which version of QuantumATK are you using? Could you post your script, log-file, and transmission spectrum image related to this calculation?