Abstract
A method for calculating the most probable microsymmetry of the crystal field around the Kramers ion neodymium (III) in seven different host crystals is presented. The starting data are taken from carefully interpreted optical spectra available in the literature, no further information being necessary. Firstly the crystal field parameters for various assumed test symmetries are chosen to give the best fit to the splitting of the ground state multiplet, then a “truncated” crystal field calculation involving only a limited number of Stark levels is performed and suggestions for the microsymmetry are given in terms of the standard deviation between the calculated and experimental Stark splittings. It must be emphasized that all the calculations can be done with a standard personal computer.
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Paper from the NATO Advanced Study Institute on Physical Properties and thermodynamic Behaviour of Minerals, Cambridge 1987
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Gatterer, K., Fritzer, H.P. Symmetry-modelling of rare earth compounds with kramers ions: I. Neodymium (III) in various solids. Phys Chem Minerals 15, 484–492 (1988). https://doi.org/10.1007/BF00311129
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DOI: https://doi.org/10.1007/BF00311129