2 Matching Results

Search Results

Advanced search parameters have been applied.

Modeling crystal-field interaction for f-elements in LaCl{sub 3}.

Description: The results of crystal field calculations in the framework of exchange charge model (ECM) are reported for trivalent lanthanide and actinide ions doped into LaCl{sub 3}. Whereas the scalar strength of the model crystal field parameters are consistent with that previously determined by fitting the experimental data, the sign of the second-order parameter is found to be negative, in contrast to previous reports. The contribution from long-range electrostatic interactions exceeds that from the nearest neighboring ligands and leads to the negative sign of the second-order crystal field parameter. Other interaction mechanisms including overlap, covalence, and charge exchange are less important to the second order parameter, but dominate the fourth- and sixth-order parameters. This work provides a consistent interpretation of the previously controversial experimental results for both lanthanide and actinide ions in this classical host.
Date: July 14, 1997
Creator: Liu, G. K. & Zhorin, V. V.
Partner: UNT Libraries Government Documents Department

Modelling crystal-field interaction for f-elements in LaCl{sub 3}

Description: The results of crystal field calculations in the framework of exchange charge model (ECM) are reported for trivalent lanthanide and actinide ions doped into LaCl{sub 3}. Whereas the scalar strength of the model crystal field parameters are consistent with that previously determined by fitting the experimental data, the sign of the second-order parameter is found to be negative, in contrast to previous reports. The contribution from long-range electrostatic interactions exceeds that from the nearest neighboring ligands and leads to the negative sign of the second-order crystal field parameter. Other interaction mechanisms including overlap, covalence, and charge exchange are less important to the second order parameter, but dominate the fourth-and sixth-order parameters. This work provides a consistent interpretation of the previously controversial experimental results for both lanthanide and actinide ions in this classical host.
Date: September 1, 1997
Creator: Zhorin, V.V. & Liu, G.K.
Partner: UNT Libraries Government Documents Department