GTCluster

GTCluster[space group,radius]
constructs a spherical cluster with radius for a given space group.

DetailsDetails

  • For the construction of tight-binding Hamiltonians in real space, but also in k-space, the real structure of the material is the starting point. The crystal lattice is constructed from spacegroup information. The constructed cluster is spherical. All atoms within radius are considered.
  • The following options can be given:
  • GOLattice{}Rescales the lattice constant
    GOPosition0Shifts the origin of the cluster construction
    GOTbEquivalenceTrueDecides whether equivalent atomes should be renamed
  • See: W. Hergert, M. Geilhufe, Group Theory in Solid State Physics and Photonics. Problem Solving with Mathematica

ExamplesExamplesopen allclose all

Basic Examples  (1)Basic Examples  (1)

First load the package:

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Then run the example:

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Construction of the atomic cluster:

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