GROUP THEORY SYMBOL
GTDensityOfStates
GTDensityOfStates[Hamiltonian,structure,parameters]
calculates and plots the density of states for a given Hamiltonian.
DetailsDetails
- The density of states (DOS) is calculated by a simple Gaussian broadening method.
- structure defines the Bravais lattice. This information is used to construct the k-mesh in the irreducible part of the Brillouin zone.
- The vector parameters contains data for the DOS calculation.
- parameters = {nt, scaleK, emin, emax, ne, σ, scale}
-
nt refinement parameter k-mesh (see also GTBZPointMesh) scaleK scaling factor k-mesh (see also GTBZPointMesh) [emin,emax] energy intervall for DOS calculation ne number of energy points to calculate the DOS σ width of the Gaussians (if σ = 0 the energy step width is used) scale The whole DOS can be scaled by the factor scale. This is sometimes helpful for comperisons. - The following options can be given:
-
FrameLabel {"Energy", "DOS"} Option of ListPlot GOBands "All" Selects bands to be included in the DOS calculation GOFermiEnergy 0 Calculates the Fermi energy GOPhotonic False Distinguishes between the calculation of an electronic or a photonic bandstructure GOPlotDos "DOS" Plots density of states GOStore 0 Stores the DOS, if a file name is given PlotLabel "Density of states" Option of ListPlot PlotRange All Option of ListPlot PlotStyle RGBColor[0, 0, 1] Option of ListPlot - See: W. Hergert, M. Geilhufe, Group Theory in Solid State Physics and Photonics. Problem Solving with Mathematica, chapter 9.6.