GroupTheory`
GroupTheory`

GTCrystalFieldSplitting

GTCrystalFieldSplitting[group1_,group2_,(character table1, character table2)]

calculates the decomposition of irreducible representations if the symmetry is lowered from group1 to group2.

Details and Options

  • It is assumed that group2 is a subgroup of group1. If so, irreducible representations of group1 become reducible representations of group2.
  • The module uses GTIrep to estimate how the irreducible representations of group1 split if the symmetry is lowered to group2.
  • GOFast GOFastValueControls the input validation
    GOIrepNotation "Mulliken"Notation of the irreducible representations
  • See: W. Hergert, M. Geilhufe, Group Theory in Solid State Physics and Photonics. Problem Solving with Mathematica, Chapter 7.3.

Examples

open allclose all

Basic Examples  (2)

First, load the package:

In the first example, the splitting of energy levels with cubic symmetry () into levels with square symmetry () is discussed. Such a situation occurs, e.g., within a crystal under uniaxial strain.

First, load the package:

Then run the examples:

Runtime can be decreased if the character tables are available

Options  (3)

GOFast  (2)

The evaluation time can be decreased, using GOFastTrue.

If GOFastFalse is used, a check of the input will be performed.

GOIrepNotation  (1)