𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Investigations of the spin-Hamiltonian parameters and the tetragonal distortion due to Jahn–Teller effect for Cu2+ in trigonal CsCdCl3 and CsMgCl3 crystals

✍ Scribed by Yang Mei; Wen-Chen Zheng

Publisher
Elsevier Science
Year
2009
Tongue
English
Weight
137 KB
Volume
404
Category
Article
ISSN
0921-4526

No coin nor oath required. For personal study only.

✦ Synopsis

The complete high-order perturbation formulas based on a two-mechanism [i.e., crystal-field (CF) and charge-transfer (CT) mechanisms, the latter is neglected in the widely-used CF theory] model for the spin-Hamiltonian (SH) parameters (g factors g // , g ? and the hyperfine structure constants A // , A ? ) of d 9 ions in tetragonal symmetry with the ground state jd x 2 Ày 2 i are established. These formulas are used to the calculations of SH parameters for the tetragonal Cu 2+ centers in trigonal CsCdCl 3 and CsMgCl 3 crystals. Form the calculations, these SH parameters are reasonably explained and the tetragonal distortions of the Cu 2+ centers due to Jahn-Teller effect in both crystals are obtained. The results (including the tetragonal distortion and the relative importance of CT mechanism) are discussed.

📜 SIMILAR VOLUMES

Investigations of spin-Hamiltonian param
Investigations of spin-Hamiltonian parameters and defect structures for two tetragonal Cu2+ centers in KTaO3 crystal
✍ Wei-Qing Yang; Wen-Chen Zheng; Ping Su; Hong-Gang Liu 📂 Article 📅 2010 🏛 John Wiley and Sons 🌐 English ⚖ 322 KB

Based on the defect models that the two tetragonal Cu 2+ centers in KTaO 3 are due to Cu 2+ ions at Ta 5+ sites associated, respectively, with one and two oxygen vacancies (V 0 ) along C 4 axis because of charge compensation, the spin-Hamiltonian parameters (g factors g // , g ⊥ and hyperfine struct