Explanations of the g-Factors and Hyperfine Structure Constants for CuAlS2:Ti3+ Crystals

✍ Scribed by Wen-Chen Zheng; Shao-Yi Wu

• Publisher: John Wiley and Sons
• Year: 1999
• Tongue: English
• Weight: 127 KB
• Volume: 214
• Category: Article
• ISSN: 0370-1972
• DOI: 10.1002/(sici)1521-3951(199908)214:2<381::aid-pssb381>3.0.co;2-l

✦ Synopsis

In this paper, we establish the high-order perturbation formulas of the g-factors g k , g c and hyperfine structure constants A k Y A c for 3d 1 ions in the tetragonal MX 4 cluster by using a two-spin± orbit (S.O.) coupling parameter model, where not only the contribution due to the S.O. coupling of the central 3d 1 ion, but also that of ligands are considered. From these formulas, the EPR parameters g k Y g c Y A k and A c for CuAlS 2 : Ti 3 crystal are calculated by using only one adjustable parameter. All of the calculated results show good agreement with the observed values. Comparing these calculated values with those obtained from the conventional one-S.O.-parameter model, where only the contribution due to the 3d 1 ion is considered, it can be seen that in the cases of ligands having large S.O. coupling parameters, the two-S.O.-parameter model is preferable to the one-S.O.-parameter model in the studies of EPR parameters.