Resumen de Theoretical studies of the Electron Paramagnetic Resonance parameters and local structure for the trigonal Yb3+ center in YAl3(BO3)4 crystal
Yttrium aluminium borate crystals have excellent physical and chemical properties. In this paper, the electron paramagnetic resonance g factors g_(‖), g_(⊥) of Yb^(3+) and hyperfine structure constants A_(‖), A_(⊥) of ^(171)Yb^(3+) and ^(171)Yb^(3+) isotopes in Yal_(3)(BO_(3))_(4) crystal are calculated from the perturbation formulas. The crystal field parameters are obtained from the superposition model and the crystal structure data. The electron paramagnetic resonance parameters for trigonal Yb^(3+) centers in Yal_(3)(BO_(3))_(4) are reasonably explained by considering the defect structures of doped Yb^(3+) centers. In the calculation, we also find that Yb^(3+) ion does not exactly reside in Y^(3+) site, but suffers an angle distortion ∆θ(≈ 3.98◦ ) with C_(3) axis. The results are discussed.
