A few remarks on the simulation and use of crystal field energy level schemes of the rare earth ions

Abstract

The usefulness of the simulation of the energy level schemes of the trivalent rare earth ( R 3+) ions in the prediction of the properties of the rare earth compounds is demonstrated for a few selected cases emphasizing the connection between different spectroscopic and magnetic properties of the R 3+ ions. The importance of the calculated energy level schemes in the UV-VUV range in interpreting complicated spectra and designing new phosphors by energy transfer and quantum cutting is described. In the absence of direct measurements, the calculated energy level values can be very useful. The possibilities to interpret the magnetic properties of the R 3+ (and R 2+) ions are described by using the wave functions of the energy levels obtained from the energy level simulations. As a fine example, it is shown how the amount of an Eu 2+ impurity can be obtained from the calculation of the paramagnetic susceptibility as a function of temperature. The problems involved in the simulation of the 7 F J crystal field energy level scheme of the Eu 3+ ion are highlighted by using a comparison between the extensive literature data and calculated level schemes.