GroupTheory`
GroupTheory`

GTBandsPlot

GTBandsPlot[file,nband]

plots nband bands from the data in file.

Details and Options

  • Bands can be calculated in a first step by means of GTBands, GTBandsPlot is used afterwards for a graphical representation.
  • The following options can be given:
  • FrameLabel{" ", "Energy"}labels to be placed on the edges of the frame
    GOFermiEnergy 0Fermi Energy
    GOShift 0Shifts the energies by a fixed value
    JoinedFalsewhether to join points
    PlotLabel"Band structure"overall label of the plot
    PlotRangeAllrange of coordinates to include in plot
    PlotStyleRGBColor[0, 0, 1]style of the plot
  • See: W. Hergert, M. Geilhufe, Group Theory in Solid State Physics and Photonics. Problem Solving with Mathematica, chapter 9.7.2

Examples

open allclose all

Basic Examples  (1)

First, load the package:

Then prepare the data:

The bands are stored in the list bands and this list is used to plot the band structure with GTBandsPlot.

Options  (3)

FrameLabel, PlotLabel, PlotStyle, PlotRange and Joined are options of Mathematica’s plot functions and not discussed here.

GOShift  (1)

The whole band structure is shifted by a constant energy.

GOFermiEnergy  (1)

GOFermiEnergy is used to plot the Fermi energy.