Abstract
An approach using two spin-orbit (s.o.) coupling parameters for the g factors and the zero-field splitting of 4A2(t23) and 2E(t23) terms of Cr3+ clusters with trigonal symmetry is presented. The theory is applied to Cr3+ in ruby, CsMgCl3:Cr3+, and CsMgBr3:Cr3+. It is found that large s.o. coupling interaction at ligands results in a large difference between ξ and ξ'. The contributions due to ξ' are dominant for the g factors whereas those due to ξ are dominant for the zero-field splitting of the 2E(t23) term. The contributions due to ξ and ξ' are both significant for the zero-field splitting of the 4A2(t23) term. A comparison with experimental data reveals that the two-s.o.-coupling-parameter approach, unlike the single-s.o.-coupling-parameter approach, is capable of providing reasonable results for both the g factors and the zero-field splitting of t23 terms for Cr3+ clusters, especially for CsMgBr3:Cr3+. © 1992 The American Physical Society.
| Original language | English |
|---|---|
| Pages (from-to) | 8974-8977 |
| Journal | Physical Review B |
| Volume | 46 |
| Issue number | 14 |
| DOIs | |
| Publication status | Published - 1992 |
Bibliographical note
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