کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
8157425 | 1524861 | 2014 | 4 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Density-functional study on the robust ferromagnetism in rare-earth element Yb-doped SnO2
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
فیزیک و نجوم
فیزیک ماده چگال
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![عکس صفحه اول مقاله: Density-functional study on the robust ferromagnetism in rare-earth element Yb-doped SnO2 Density-functional study on the robust ferromagnetism in rare-earth element Yb-doped SnO2](/preview/png/8157425.png)
چکیده انگلیسی
So far, little has been known about the ferromagnetism induced by p-f hybridization. We investigate the magnetic properties of Yb-doped SnO2 by first-principles calculations. We find that the doped system favors the ferromagnetic state and a room-temperature ferromagnetism can be expected in it. The origin of ferromagnetism can be attributed to the p-f hybridization between Yb impurity and its surrounding oxygen atoms. The formation energy of defect complex is calculated and the magnetic mediation of intrinsic vacancies is studied. Our results reveal that the formation energy of the defect complex with Sn vacancy is about 7.3Â eV lower in energy than that with oxygen vacancy. This means Sn vacancy is much easier to form than oxygen vacancy in the presence of Yb substitution. The ferromagnetism of the doped system is greatly enhanced in the presence of Sn vacancies.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Magnetism and Magnetic Materials - Volume 360, June 2014, Pages 165-168
Journal: Journal of Magnetism and Magnetic Materials - Volume 360, June 2014, Pages 165-168
نویسندگان
Kai-Cheng Zhang, Yong-Feng Li, Yong Liu, Feng Chi,