Spin transport in Chromium wire

See also

DFTB-NEGF manual and BAND-NEGF manual

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

Start up AMSinput

1. Switch to BAND: →

2. Tick the Unrestricted check-box

3. Select Task → NEGF

4. 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 AMSspectra:

Click on File → Save

Run the calculation with File → Run

Wait for the calculation to finish

Click on SCM → Spectra…