GROUP THEORY SYMBOL

GORegionFunction

GORegionFunction
is an option to decide, if the calculated Fermi surface should be restricted to the first Brillouin zone.

DetailsDetails

  • The electronic structure is calculated in a cube to construct the Fermi surface by means of ListPlot3D. Therfore, parts of the Fermi surface lying in adjacent Brillouin zones appear in the plot. Those parts can be cut away using the Brillouin zone as a RegionFunction in ListPlot3D. This is controlled by GORegionFunction.
  • Warning: The clipping of the Fermi surface by means of RegionFunction is time consuming!
  • Typical settings for GORegionFunction are:
  • TrueCuts way parts of the Fermi surface outside the 1st Brillouin zone
    FalseShows the whole calculated Fermi surface
  • This option is used by: GTFermiSurface

ExamplesExamplesopen allclose all

Basic Examples  (1)Basic Examples  (1)

First load the package:

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Usually a Brillouin zone is calculated and the corresponding path is plotted.

Define the Hamiltonian

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Read the TB parameterset for Cu.

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Read the predefined Hamiltonian for the fcc structure.

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The Hamiltonian for Cu is prepared by insertion of the paramter set.

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Plot the Fermi surface

The Fermi surface is plotted together with the Brillouin zone.

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The Fermi surface is clipped to the 1st Brillouin zone.

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