GROUP THEORY SYMBOL

GTFermiSurfaceCut

GTFermiSurfaceCut[Hamiltonian,Fermi energy,list of bands,ndel,plane, area] calculates a cut throught the Fermi surface corresponding to a Hamiltonian and Fermi energy if the Fermi surface contains parts from list of bands. The electronic structure is calculated in a cube at ndel points per spatial dimension. plane defines orientation and position of the cutting plane. area defines a quadratic region in the cutting plane.

Details Details

GTFermiSurfaceCut is strongly related to GTFermiSurface. Instead of the whole Fermi surface a cut is created, i.e. a plane is defined and the figure resulting from the cut of the plane with the Fermi surface is presented.
The following options can be given:

GOVerbose	False	control of put of additional information.
GOPlot	True	defines the out output of the cuts.
ContourStyle	{}	defines the style of the contour lines.

See: W. Hergert, M. Geilhufe, Group Theory in Solid State Physics and Photonics. Problem Solving with Mathematica, chapter 9.7.1.

Examples Examples open all close all

Basic Examples (1)Basic Examples (1)

First load the package:

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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 parameter set.

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To see that all works correctly, the band structure is calculated. This is not necessary for the construction of the XCrySDen files.

Bandstructure of Cu

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The exact position of the Fermi energy can be found from the DOS. We calculate the isoenergetic surface to E = 0.6 Ryd for band number 6

Fermi surface

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Now we create a cut throught the Fermi surface. We want to see the cut in the k_k-k_y-plane. Thus the normal vector will be (0,0,1) amd the shift vector (0,0,0).

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