Accession Number:

AD0614357

Title:

CALCULATION OF CRYSTAL-FIELD ENERGY-LEVEL SPLITTINGS OF THE TI(3+) ION IN RBA1(SO4)2.12H20,

Descriptive Note:

Corporate Author:

MCGILL UNIV MONTREAL (QUEBEC) EATON ELECTRONICS RESEARCH LAB

Personal Author(s):

Report Date:

1964-08-31

Pagination or Media Count:

6.0

Abstract:

By considering a crystal-field model of D2h pointgroup symmetry, the Stark energy-level separations of the Ti3 ion in RbA1SO42.12H2O have been calculated. Previously reported results of EPR experiments have revealed the existence of an orthorhombic crystal field, and through the application of group theory and quantummechanical perturbation theory, splitting values of 1050, 1320, and 20 300 1cm have been obtained. In these calculations the contribution of the upper doublet E produced by the octahedral component of the field has been included and its importance is clearly established. The calculated value of the cubic splitting matches the result of optical spectroscopic measurements with Ti3 in similar environments, reported by other workers. The magnitudes of the smaller orthorhombic splittings are compared with the predicted value of 1075 1cm which was obtained from an earlier calculation by Van Vleck applied to a model with trigonal symmetry. The JahnTeller effect is discussed as a possible cause of the orthorhombic distortion. Author

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Distribution Statement:

APPROVED FOR PUBLIC RELEASE