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QuantumATK => General Questions and Answers => Topic started by: sweta on September 24, 2017, 07:20

Title: spin transport study in two probe geometry
Post by: sweta on September 24, 2017, 07:20

Hello everyone,

In two probe geometry, I have used a molecule sandwiched between  Ni electrodes for the calculation of transport properties. Now I want to analyze the spin effect on DOS.
How is it possible? What parameter I have to change for molecule, anchoring groups and electrodes?

Title: Re: spin transport study in two probe geometry
Post by: Petr Khomyakov on September 24, 2017, 22:35

You have to first do spin-polarized self-consistent calculation for your device configuration, and then compute DOS; you will then get DOS contributions for electrons with spin up and down.

Title: Re: spin transport study in two probe geometry
Post by: sweta on September 29, 2017, 13:19

Thank you!
Is there any manual or other thing related to that?

Title: Re: spin transport study in two probe geometry
Post by: Ulrik G. Vej-Hansen on September 29, 2017, 14:57

This tutorial deals with DOS in devices when using spin-polarization, among other things: https://docs.quantumwise.com/tutorials/nisi2-si/nisi2-si.html