Professeur adjoint

Group meeting 27/06/17: How group theory is applied to crystals

Filed in: Blog.Group-meeting-270617-How-group-theory-is-applied-to-crystals · Modified on : Tue, 27 Jun 17

The program I will be working on is called Quanty. One of the main things it can calculate are the core level spectroscopy of correlated transition metal and rare earth compounds. Crystal field theory is used to describe the spectroscopies of those transition metal and rare earth compounds as it describes the spilttings of ionic levels. However, the energy level degeneracy are related to only the symmetry of the Hamiltonian and is thus a consequence of the symmetry of the crystal field. To determine if crystal field splitting occurs, we use group theory. In fact, determining the dimensions of the irreducible representation of a group will give the possible degeneracies. Furthermore, if we find that a representation is reducible, then we will have crystal field splittings of the energy levels.

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