کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1812638 | 1525243 | 2009 | 4 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
The electronic structures and magnetic properties of the vanadates M(pyrazine)V4O10 [I, M=Co; II, M=Zn] studied by first-principles calculations
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
فیزیک و نجوم
فیزیک ماده چگال
پیش نمایش صفحه اول مقاله
چکیده انگلیسی
The electronic structures and magnetic properties of two reduced hybrid layered vanadate complexes M(pyrazine)V4O10 [I, M=Co; II, M=Zn] have been studied using the first-principles calculation method based on the density functional theory. Based on the results obtained from the calculation, we find that the ferromagnetic interactions come from the spin polarization effect and spin delocalization effect for I, but only from the spin polarization effect for II. There are two magnetic centers (Co and V ions) for I, but only one magnetic center (V ions) for II. The complex Co(pyz)V4O10 has metallically magnetic properties, whereas the Zn(pyz)V4O10 does not have.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Physica B: Condensed Matter - Volume 404, Issues 12â13, 1 June 2009, Pages 1729-1732
Journal: Physica B: Condensed Matter - Volume 404, Issues 12â13, 1 June 2009, Pages 1729-1732
نویسندگان
H.J. Xu, Z.L. Wang, K.L. Yao,