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Topics - guojunnan

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General Questions and Answers / How to calculate the current after introducing spin-orbit coupling?
« on: March 26, 2024, 11:00 »
I want to calculate the current of a device after the introduction of spin-orbit coupling, and I need to see the spin-up and spin-down currents after the introduction of spin-orbit coupling? But my calculations can only yield currents in the xyz direction? How should I adjust it?

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General Questions and Answers / How to calculate spin-resolved current-coltage(i-v)characterisrics?
« on: November 22, 2023, 04:14 »
I'm trying to calculate the nature of spin-electron transport in chiral molecules. I first made a conjecture for the ground state using SGGA. Where the initial states are set to parallel states. Then spin-orbit coupling was introduced to calculate the spin transport properties, IV curves. Why can't I get get spin up and spin down currents respectively?

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