The local structure of the tetragonal Er3+ center in CaO is theoretically studied by using the perturbation formulas of the g factors for a 4f(11) ion in tetragonal symmetry. In these formulas, the contributions to the g factors from the second-order perturbation terms and the admixtures of various states are taken into account. Based on the investigations, this center is suggested to be the impurity Er3+ substituting the host Ca2+ site, associated with a Ca2+ vacancy V-Ca in the [100] (C-4) axis due to charge compensation. By studying the g factors of the tetragonal center, impurity Er3+ is expected to undergo an off-center displacement Delta Z( approximate to 0.2 A) towards the V-Ca along the C-4 axis because of the electrostatic attraction. The calculated g factors based on the displacement Delta Z show reasonable agreement with the observed values.
部门归属
univ elect sci & technol china, dept appl phys, chengdu 610054, peoples r china. chinese acad sci, int ctr mat phys, shenyang 110016, peoples r china. chongqing univ posts & telecommun, coll elect engn, chongqing 400065, peoples r china.;wu, sy (reprint author), univ elect sci & technol china, dept appl phys, chengdu 610054, peoples r china;shaoyi-wu@163.com
S. Y. Wu,H. N. Dong. Studies on the local structure of the tetragonal Er3+ center in CaO[J]. Zeitschrift Fur Naturforschung Section a-a Journal of Physical Sciences,2005,60(4):271-274.
APA
S. Y. Wu,&H. N. Dong.(2005).Studies on the local structure of the tetragonal Er3+ center in CaO.Zeitschrift Fur Naturforschung Section a-a Journal of Physical Sciences,60(4),271-274.
MLA
S. Y. Wu,et al."Studies on the local structure of the tetragonal Er3+ center in CaO".Zeitschrift Fur Naturforschung Section a-a Journal of Physical Sciences 60.4(2005):271-274.
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