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EPR observations of trivalent titanium in orthophosphate single crystals

Journal Article · · J. Chem. Phys.; (United States)
DOI:https://doi.org/10.1063/1.451638· OSTI ID:5751672
The ground state spectroscopic properties of the 3d/sup 1/ electronic configuration ion Ti/sup 3 +/ have been investigated using EPR spectroscopy. Trivalent titanium was incorporated as a dilute impurity in single crystals of the tetragonal, zircon-structure hosts ScPO/sub 4/, YPO/sub 4/, and LuPO/sub 4/. The EPR spectrum of Ti/sup 3 +/ was observed in the as-grown orthophosphate crystals, and low temperature irradiations were not required to produce the trivalent state. The EPR results show that Ti/sup 3 +/ occupies a substitutional cation site in the host orthophosphate single crystals. Axial spin-Hamiltonian parameters were determined at 77 K, and these results are compared to those obtained previously for the 4d/sup 1/ and 5d/sup 1/ configuration ions Zr/sup 3 +/ and Hf /sup 3 +/ in the same host crystals. Titanium-doped orthophosphate crystals containing isotopically enriched /sup 47/Ti or /sup 49/Ti were also grown and employed in determinations of the hyperfine parameters. The g-values observed here for Ti/sup 3 +/, and determined previously for Zr/sup 3 +/ and Hf /sup 3 +/ are not accounted for by the published second-order expressions indicating that additional coupling mechanisms are operative.
Research Organization:
Solid State Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831
DOE Contract Number:
AC05-84OR21400
OSTI ID:
5751672
Journal Information:
J. Chem. Phys.; (United States), Journal Name: J. Chem. Phys.; (United States) Vol. 85:1; ISSN JCPSA
Country of Publication:
United States
Language:
English