Spin transport in Chromium wire

To study spin-resolved transport is sufficient to activate the “unrestricted” option in the Band Main panel:

Start up ADFInput
1. Switch to BAND
2. Select Relativity → Scalar (important for heavy elements)
3. Tick the Unrestricted option
4. Select Task → NEGF
5. Click on ... to go to the NEGF panel (or click on Model → NEGF)

Now, download the lead file:

Click here to download the lead file Cr_lead.xyz

and create a 1D chromium chain:

In the NEGF panel
Click on the folder icon next to Lead: this will prompt a file dialog window
Open Cr_lead.xyz (the .xyz file you just downloaded)
Fill the central region with 9 layers of lead material

Your system should now look like this:


We run the calculation and visualize the results with ADFSpectra:

Click on File → Save
Run the calculation with File → Run
Wait for the calculation to finish
Click on SCM → Spectra...