ISSN:
1432-2021
Source:
Springer Online Journal Archives 1860-2000
Topics:
Chemistry and Pharmacology
,
Geosciences
,
Physics
Notes:
Abstract This paper is an extension of the earlier one dealing with kyanite in which the best fitting value of the oxygen ligand distance for Cr3+ is adopted to study the spectroscopic properties of Cr3+ ions doped at the two possible Al sites in the other two polymorphs of the aluminosilicate group (Al2O3 · SiO2), namely, andalusite and sillimanite. The superposition model and the crystal field analysis package recently developed for 3d ions doped at arbitrary low symmetry sites in crystals are used to predict energy levels and statevectors within the whole 3d 3 configuration. Then the values of the ground state zerofield splitting for Cr3+ ions at each Al sites in the two crystals are obtained. The splittings of the lower excited states 2 E and 4 T 2 as well as the admixture of 4 T 2 into 2 E have also been predicted. Comparison of our results with the available experimental data enable us to correlate the optical and EPR Spectroscopic properties with the substitutional Cr3+ sites. The conclusion is that in andalusite and sillimanite only the Al sites with nearly-octahedral six-fold coordination seem to be occupied by Cr3+ ions.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1007/BF00203928
