Open AccessTheoretical studies of the EPR parameters and local structure for the trigonal Yb3+ center in YAl3(BO3)4 crystal
Author(s) -
Hui Dong,
Rong Zhang
Publication year - 2018
Publication title -
revista mexicana de física/revista mexicana de física
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.181
H-Index - 25
eISSN - 2683-2224
pISSN - 0035-001X
DOI - 10.31349/revmexfis.65.1
Subject(s) - electron paramagnetic resonance , hyperfine structure , trigonal crystal system , crystal (programming language) , ion , materials science , boron , crystal structure , crystallography , atomic physics , nuclear magnetic resonance , chemistry , physics , organic chemistry , computer science , programming language
Yttrium aluminium borate crystals have excellent physical and chemical properties. In this paper, the electron paramagnetic resonance (EPR) g factors g//, g^ of Yb3+ and hyperfine structure constants A//, A^ of 171Yb3+ and 173Yb3+ isotopes in YAl3(BO3)4 crystal are calculated from the perturbation formulas. The crystal field parameters are obtained from the superposition model and the crystal structure data. The EPR parameters for trigonal Yb3+ centers in YAl3(BO3)4 are reasonably explained by considering the defect structures of doped Yb3+ centers. In the calculation, we also find that Yb3+ ion does not exactly reside in Y3+ site, but suffers an angle distortion Dq (≈ 3.98 Å) with C3 axis. The results are discussed.