| Автор | R F C Claridge |
| Автор | D G McGavin |
| Автор | W C Tennant |
| Дата выпуска | 1995-11-20 |
| dc.description | A d<sup>1</sup> Ti<sup>3+</sup> 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 Ti<sup>3+</sup> ion occupies a substitutional site of point group symmetry 42m (D<sub>2d</sub>). 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 Ti<sup>3+</sup>/ alpha quartz centres, point charge calculations and <sup>29</sup>Si hyperfine splittings indicated that the Ti<sup>3+</sup> centre results from electron capture by Ti<sup>4+</sup> occupying a Zr<sup>4+</sup> site in the crystal; the designation (TiO<sub>8</sub>)/sup /s suggested. Precise spin-Hamiltonian parameters, including <sup>47</sup>Ti (I=5/2, 7.4%) and <sup>49</sup>Ti (I=7/2, 5.4%) hyperfine, nuclear electric quadrupole and nuclear Zeeman parameter matrices, together with high-spin nuclear terms of dimension I<sup>4</sup>, I<sup>3</sup>S, I<sup>5</sup>S, BI<sup>3</sup> and BI<sup>5</sup> were determined. The set of terms BI, BI<sup>3</sup> and BI<sup>5</sup> 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. |
| Формат | application.pdf |
| Издатель | Institute of Physics Publishing |
| Название | 10 K electron paramagnetic resonance of a d<sup>1</sup> Ti<sup>3+</sup> centre in X-irradiated zircon (zirconium silicate) |
| Тип | paper |
| DOI | 10.1088/0953-8984/7/47/021 |
| Electronic ISSN | 1361-648X |
| Print ISSN | 0953-8984 |
| Журнал | Journal of Physics: Condensed Matter |
| Том | 7 |
| Первая страница | 9049 |
| Последняя страница | 9060 |
| Аффилиация | R F C Claridge; Dept. of Chem., Canterbury Univ., Christchurch, New Zealand |
| Аффилиация | D G McGavin; Dept. of Chem., Canterbury Univ., Christchurch, New Zealand |
| Аффилиация | W C Tennant; Dept. of Chem., Canterbury Univ., Christchurch, New Zealand |
| Выпуск | 47 |
