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: ADFPanel → BANDPanel
2. Tick the Unrestricted check-box
3. Select Task → NEGF
/scm-uploads/doc/Tutorials/_images/negf_t4_main_panel.png

Now, download the lead file:

Click here to download the lead file Cr_lead.xyz

and create a 1D chromium chain:

Click on MoreBtn to go to the NEGF panel (or click on Model → NEGF)
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:

/scm-uploads/doc/Tutorials/_images/negf_t4_system_ready.png

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…
/scm-uploads/doc/Tutorials/_images/negf_t4_transmission.png