GROUP THEORY SYMBOL

GTHamiltonianPlot

GTHamiltonianPlot[hamiltonian,basis]
plots the structure of a hamiltionian, using information about the basis employed in the construction of the hamiltonian.

DetailsDetails

  • All Hamiltonians in GTPack are constructed in matrix form. The ansatz for the wavefunctions is an expansion with respect to a certain basis set. GTHamiltonianPlot shows the structure of such a Hamiltonian. You get information about the block structure and nonzero matrix elements.
  • The command can be applied to tight-binding Hamiltonians only.
  • The command is very helpful if the block structure of the Hamiltonian at certain k points has to be inspected.
  • See: W. Hergert, M. Geilhufe, Group Theory in Solid State Physics and Photonics. Problem Solving with Mathematica, chapter 9.4

ExamplesExamplesopen allclose all

Basic Examples  (1)Basic Examples  (1)

First load the package:

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Read the Hamiltonian for the Perovskite structure:

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The basis used for the construction of the Hamiltonian is:

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We get an overview about the structure of the Hamiltonian (Nonzero elements are depicted in red). The order of the orbitals corresponds to the order in the basis. Here, only Ti d and O p electrons are taken into account.

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