The limits of the total crystal-field splittings
Abstract
The crystal-fields causing electron states splittings of the same second moment can produce different total splittings magnitudes. Based on the numerical data on crystal-field splittings for the representative sets of crystal-field Hamiltonians with fixed indexes either or , the potentials leading to the extreme have been identified. For all crystal-fields the admissible ranges have been found numerically for . The extreme splittings are reached in the crystal-fields for which are the definite superpositions of the components with different rank and 6 and the same index . Apart from few exceptions, the lower limits occur in the axial fields of , whereas the upper limits in the low symmetry fields of . Mixing the components with different yields a secondary effect and does not determine the extreme splittings. The admissible changes with from to , whereas the from to . The maximal gap has been found for the states . Not all the nominally allowed total splittings, preserving condition, are physically available, and in consequence not all virtual splittings diagrams can be observed in real crystal-fields.
Keywords
Cite
@article{arxiv.0907.1989,
title = {The limits of the total crystal-field splittings},
author = {Jacek Mulak and Maciej Mulak},
journal= {arXiv preprint arXiv:0907.1989},
year = {2015}
}
Comments
30 pages, Appendix (8 pages) and 11 tables; submitted to pss(b)