Author Topic: Plotting fermi surface by tag (like fatbandstructure)  (Read 2809 times)

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Offline pshinyeong

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Plotting fermi surface by tag (like fatbandstructure)
« on: September 19, 2024, 07:00 »
Is it possible to plot a 2D Fermi surface while assigning weights to specific tags, similar to how fat band structures are visualized? For instance, if the surface and bulk states are tagged in the configuration, can these tags be used to indicate their respective contributions to the bands in the Fermi surface plot? I have already generated a 2D Fermi surface plot (ka vs kb), but I would like to differentiate between the contributions from bulk and surface states.

Offline Anders Blom

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Re: Plotting fermi surface by tag (like fatbandstructure)
« Reply #1 on: September 25, 2024, 07:30 »
In 3D this would have been harder, but in 2D I think you can do something slightly different since we can use color as a 3rd axis. My suggestion would be to superimpose two contour plots over each other, one for the eigenvalues where you can use lines and just pick the E=0 isoline. Then add another which uses color to indicate the relative contribution of bulk vs surface. This will fill the whole Brillouin zone, but you can see the contributions around the Fermi contour. Use FatBandstructure and project on surface and bulk, respectively, and get the weights from the query function weights().