کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
9776278 | 1509483 | 2005 | 4 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Theoretical studies on magnetic interaction in one-dimensional CunBrm (SÂ =Â 1/2) chains
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
مهندسی مواد
بیومتریال
پیش نمایش صفحه اول مقاله
چکیده انگلیسی
Theoretical calculations for molecular-based magnetic materials have been carried out and successfully revealed magnetic interaction. Recently, Sugimoto and his co-workers reported synthesis and experimental studies for salts of TTF-derivative donors and CunBrm (SÂ =Â 1/2) chains. In these crystals, their magnetic properties depend on structure changing. In this paper, we focus on magnetic interaction in one- dimensional CunBrm chains. Here, we introduced the universal model structure for their real crystals and four parameters (r, a, b and c) in it can fix the structure. The Jab values under each parameter value were studied by using of UHF, UB3LYP and UCCSD(T) methods. Magnetic interactions in all shapes of CunBrm chains were investigated.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Synthetic Metals - Volume 154, Issues 1â3, 22 September 2005, Pages 317-320
Journal: Synthetic Metals - Volume 154, Issues 1â3, 22 September 2005, Pages 317-320
نویسندگان
T. Kawakami, T. Taniguchi, Y. Kitagawa, T. Matsumoto, Y. Kamada, T. Sugimoto, M. Okumura, K. Yamaguchi,