کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1594479 | 1515671 | 2009 | 5 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
The geometric structure influence on the ferromagnetism in Carbon-doped anatase TiO2: First-principles 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: The geometric structure influence on the ferromagnetism in Carbon-doped anatase TiO2: First-principles study The geometric structure influence on the ferromagnetism in Carbon-doped anatase TiO2: First-principles study](/preview/png/1594479.png)
چکیده انگلیسی
First-principles calculations have been performed on the C-doped anatase TiO2. The doped TiO2 shows half-metallic properties and a 2.0 μB magnetic moment per cell. The magnetic coupling is closely related to the C-C distance. When the distance is shorter than a typical CC double bond (1.34Ã
Ì), the system is nonmagnetic and the dopants tend to form a cluster through a direct CC bonding interaction [Appl. Phys. Lett. 93 (2008) 132507]. When the distance is between 3.8 and 5.5Ã
Ì, there exists strong ferromagnetic or antiferromagnetic coupling between two C atoms. The ferromagnetic coupling is induced by the bent C-Ti-C unit. When the distance is further increased, the system becomes paramagnetic.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Solid State Communications - Volume 149, Issues 39â40, October 2009, Pages 1717-1721
Journal: Solid State Communications - Volume 149, Issues 39â40, October 2009, Pages 1717-1721
نویسندگان
X.F. Wang, X.S. Chen, H.B. Shu, R.B. Dong, Y. Huang, W. Lu,