THEORETICAL CALCULATION OF THE ENERGY LEVELS OF Gd(3+) IN CaF2.
Technical rept. 1 Jan 67-30 Nov 68,
DAYTON UNIV OHIO RESEARCH INST
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The free ion wave functions of the f7 states of Gd3 were calculated using the parameters of Judd, Crosswhite, and Crosswhite, wherein spin-spin and spin-other-orbit interactions are taken into account. These free ion states were used to calculate the energy levels of Gd3 in the cubic crystal field site of CaF2. Two calculations were done. In the first, only the 18MJ components of the free ion 6P states were used as a basis. This calculation gave a mean error of 8cm between calculated and experimental levels. In the second calculation, the 134MJ components of the free ion 8S, 6P, 6I, and 6D levels were used as a basis. This calculation gives the correct ordering of the ground state representations and an overall ground state splitting about one half of the observed splitting. Means of further improving the ground state fit are discussed. Author
- Atomic and Molecular Physics and Spectroscopy
- Solid State Physics