GROUP THEORY SYMBOL

GTDensityOfStatesPlot

GTDensityOfStatesPlot[band structure,parameters]
calculates the density of states from a precalculated band structure.

DetailsDetails

  • The band structure is calculated on a mesh of the Brillouin zone by means of GTBands.
  • The vector parameters contains data for the DOS calculation.
  • parameters = {emin, emax, ne, σ, scale}
  • [emin,emax]energy intervall for DOS calculation
    nenumber of energy points to calculate the DOS
    σwidth of the Gaussians (if σ = 0 the energy step width is used)
    scaleThe whole DOS can be scaled by the factor scale. This is sometimes helpful for comparisons.
  • The following options can be given:
  • FrameLabel{"Energy", "DOS"}
  • Option of ListPlot
    • GOBands"All"Selects the bands to be included in the DOS calculation
    GOFermiEnergy0Calculates the Fermi energy
    GOPlotDos"DOS"Plots density of states or integrated DOS or both
    GOStore0Stores the DOS, if a file name is given
    PlotLabel"Density of states"
  • Option of ListPlot
    • PlotRangeAllOption of ListPlot
    PlotStyleRGBColor[0, 0, 1]Option of ListPlot
  • See: W. Hergert, M. Geilhufe, Group Theory in Solid State Physics and Photonics. Problem Solving with Mathematica, chapter 9.7.2.

ExamplesExamplesopen allclose all

Basic Examples  (1)Basic Examples  (1)

First load the package:

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The DOS of Cu is used as an example. Read and parametrize the Hamiltonian.

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Calculate the k-points in the irreducible wedge.

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Calculate and store the bands.

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Read the bands from file and calculate the DOS.

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Options  (5)Options  (5)

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