SYSTEMATIZATION OF PARAMETERIZATIONS OF S4 CRYSTAL-FIELD POTENTIAL INSCHEELITE MATRICES

Authors
Citation
J. Mulak, SYSTEMATIZATION OF PARAMETERIZATIONS OF S4 CRYSTAL-FIELD POTENTIAL INSCHEELITE MATRICES, Polish Journal of Chemistry, 67(11), 1993, pp. 2053-2063
Citations number
58
Categorie Soggetti
Chemistry
Journal title
ISSN journal
01375083
Volume
67
Issue
11
Year of publication
1993
Pages
2053 - 2063
Database
ISI
SICI code
0137-5083(1993)67:11<2053:SOPOSC>2.0.ZU;2-4
Abstract
For the standardized parameterizations of S4 crystal field potential c ontaining one imaginary parameter ImB4(6) the ration ImB4(6)/ReB46 can be, more correctly than the others, calculated within the superpositi on model using the crystallographic data only. It allows us to check u p the correctness of the S4 experimental parameterizations. Such verif ication has been applied to all available data refering to the crystal matrices of scheelite type (CaWO4, LiYF4) doped with the rare earth i ons. The larger part of the parameterizations, at least as for their s ixth-order off-axial parameters, turns out to be quite accidental and non-physical. The ratio ImB4(6)/ReB46 should be taken as one of the in put data in the fitting procedures and the parameterizations performed hitherto should be reinterpreted.