10 K ELECTRON-PARAMAGNETIC-RESONANCE OF A D(1) TI3+ CENTER IN X-IRRADIATED ZIRCON (ZIRCONIUM SILICATE)

被引：15

作者：

CLARIDGE, RFC ^{[1
]}

MCGAVIN, DG ^{[1
]}

TENNANT, WC ^{[1
]}

机构：

[1] IND RES LTD,LOWER HUTT,NEW ZEALAND

来源：

JOURNAL OF PHYSICS-CONDENSED MATTER | 1995年 / 7卷 / 47期

关键词：

D O I：

10.1088/0953-8984/7/47/021

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

A d(1) Ti3+ centre formed by x-irradiation of a synthetic zircon single crystal at 77 K has been studied by electron paramagnetic resonance (EPR) at 10 K. The Ti3+ ion occupies a substitutional site of point group symmetry (4) over bar 2m (D-2d). Absence of both site splitting in general crystal orientations and of superhyperfine structure from a +1 ion indicated that a nearby charge compensator was not involved. Comparison with EPR measurements on Ti3+/alpha quartz centres, point charge calculations and Si-29 hyperfine splittings indicated that the Ti3+ centre results from electron capture by Ti4+ occupying a Zr4+ Site in the crystal; the designation [TiO8](-) is suggested. Precise spin-Hamiltonian parameters, including Ti-47 (I = 5/2, 7.4%) and Ti-49 (I = 7/2, 5.4%) hyperfine, nuclear electric quadrupole and nuclear Zeeman parameter matrices, together with high-spin nuclear terms of dimension I-4, (IS)-S-3, (IS)-S-5, BI3 and BI5 were determined. The set of terms BI, BI3 and BI5 were found to be crucial in obtaining a good fit to the many 'forbidden' hyperfine lines observed. This resulted in determination of nuclear quadrupole and nuclear Zeeman parameters with precisions not hitherto attained in conventional single-crystal EPR measurements.

引用

页码：9049 / 9060

页数：12

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