کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1593660 | 1515675 | 2009 | 4 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Magnetic properties in Nitrogen-doped SnO2 from first-principle study
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
مهندسی مواد
دانش مواد (عمومی)
پیش نمایش صفحه اول مقاله
![عکس صفحه اول مقاله: Magnetic properties in Nitrogen-doped SnO2 from first-principle study Magnetic properties in Nitrogen-doped SnO2 from first-principle study](/preview/png/1593660.png)
چکیده انگلیسی
Based on first-principle spin-polarized density functional theory calculations, the electronic and magnetic properties of Nitrogen-doped SnO2 with rutile structures are investigated. Our calculations predict that the spin-polarized state, with a magnetic moment of about 1.0 μBμB per Nitrogen-dopant, is more favorable in energy than the non-spin polarized state. The magnetic moment mainly arises from the p orbital of Nitrogen which substitutes the Oxygen atom, with a little contribution from the Oxygen atoms surrounding the Nitrogen atom. Furthermore, the coupling between different Nitrogen atoms is discussed, and the results show that magnetic moments between Nitrogen impurities are coupled antiferromagnetically.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Solid State Communications - Volume 149, Issues 31–32, August 2009, Pages 1304–1307
Journal: Solid State Communications - Volume 149, Issues 31–32, August 2009, Pages 1304–1307
نویسندگان
Wen-Zhi Xiao, Ling-Ling Wang, Liang Xu, Qing Wan, B.S. Zou,