کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
9781864 | 1511638 | 2005 | 6 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Theoretical study of local crystal structure in KZnF3:Fe3+ system
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موضوعات مرتبط
مهندسی و علوم پایه
مهندسی مواد
مواد الکترونیکی، نوری و مغناطیسی
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چکیده انگلیسی
An analysis of the relationship between the EPR trigonal-field parameters and the local crystal structure of KZnF3:Fe3+system is presented by diagonalizing the complete energy matrices for a d5 configuration ion in a trigonal crystal field. We propose a two-layer-ligand model, in which the ligands consist of six nearest-neighbor Fâ ions in the first layer and eight next nearest-neighbor K+ ions in the second layer. The calculation indicates that the local structure distortion of KZnF3:Fe3+system is due to the displacement of a K+ ion along C3 axis towards the Fe3+ ion, which leads to the shift of the Fâ ions away from C3 axis. By simulating the EPR low-symmetry parameters D and (aâF), the distorted angles between the Fe3+-Fâ bonds and C3 axis are determined, Îθ1=2.58°, Îθ2=â1.4° at room temperature (300 K) and Îθ1=2.84°, Îθ2=â1.4° at low temperature (77 K). Those results are in good agreement with the experimental findings Îθ1=2.8±0.3°and Îθ2=â1.1±0.3°.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Physics and Chemistry of Solids - Volume 66, Issue 1, January 2005, Pages 109-114
Journal: Journal of Physics and Chemistry of Solids - Volume 66, Issue 1, January 2005, Pages 109-114
نویسندگان
Huang Xiao-Fen, Kuang Xiao-Yu, Lu Wei,