Spin-Hamiltonian parameters and defect structure for tetragonal Pr4+ centers in ZrSiO4 crystal

✍ Scribed by Liu Hong-Gang; Zheng Wen-Chen; Yang Wei-Qing

• Publisher: Elsevier Science
• Year: 2009
• Tongue: English
• Weight: 115 KB
• Volume: 404
• Category: Article
• ISSN: 0921-4526
• DOI: 10.1016/j.physb.2009.02.029

✦ Synopsis

A complete diagonalization (of energy matrix) method (CDM) for 4f 1 ions in tetragonal symmetry under an external magnetic field is applied to calculate the spin-Hamiltonian parameters (g factors g J , g ? and hyperfine structure constants A J , A ? ) for Pr 4+ ion at the tetragonally distorted dodecahedral (D 2d ) Zr 4+ site in ZrSiO 4 crystal. In the calculations, the crystal-field parameters used are acquired from the superposition model which enables correlation of the crystal-field parameters and hence the spin-Hamiltonian parameters with the defect structural data. The calculated spin-Hamiltonian parameters are in keeping with the experimental values and the defect structural data of the tetragonal Pr 4+ center in ZrSiO 4 crystal are obtained. The results are discussed.