کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1621343 | 1516393 | 2009 | 5 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Theoretical study of spin singlets contributions to zero-field splitting and local lattice structure of Cr2+ in CdGa2S4
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
مهندسی مواد
فلزات و آلیاژها
پیش نمایش صفحه اول مقاله
![عکس صفحه اول مقاله: Theoretical study of spin singlets contributions to zero-field splitting and local lattice structure of Cr2+ in CdGa2S4 Theoretical study of spin singlets contributions to zero-field splitting and local lattice structure of Cr2+ in CdGa2S4](/preview/png/1621343.png)
چکیده انگلیسی
A theoretical method for investigating the inter-relation between electronic and the molecular structures of a d4 ion in a tetragonal ligand-field has been established on the basis of 210Â ÃÂ 210 complete energy matrix within a weak-field-representation. Using the method, the local structure parameters of CdGa2S4:Cr2+ system are determined by the experimental EPR zero-field splitting (ZFS) spectra. Our results show that the local structure around Cr2+ is a compression distortion and the local lattice structure parameters RÂ =Â 2.46Â Ã
and θ = 57.63° are determined. Moreover, the contributions of the spin singlets to ZFS parameters of Cr2+ ions in CdGa2S4 crystals are investigated for the first time. The results indicate that the spin singlets contributions to ZFS parameter D are negligible, but the contributions to ZFS parameters a and F cannot be neglected.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Alloys and Compounds - Volume 484, Issues 1â2, 18 September 2009, Pages 472-476
Journal: Journal of Alloys and Compounds - Volume 484, Issues 1â2, 18 September 2009, Pages 472-476
نویسندگان
Yang Li, Xiao-Yu Kuang, Zhe Li, Ying Li, Ming-Liang Gao,