کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1810983 | 1025575 | 2012 | 5 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
First-principles study of ferromagnetism in Ti-doped ZnO with oxygen vacancy
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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
Using first-principles density functional calculations, we have investigated the electronic structures of Ti-doped ZnO (Ti is in 4+ oxidation state) with and without oxygen vacancy. The ferromagnetic property is identified in the presence of oxygen vacancy despite Ti being nonmagnetic in its natural phase. The ferromagnetism originates from the charge transferring from donor derived-defect band to unoccupied Ti-3d states and the hybridization between Ti-3d and O-2p band near the Fermi level. On increasing the oxygen vacancy concentration, a transition from a long-ranged magnetic order to a short-ranged interaction is found and the oxygen vacancies prefer to distribute non-uniformly in Ti-doped ZnO.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Physica B: Condensed Matter - Volume 407, Issue 4, 15 February 2012, Pages 743–747
Journal: Physica B: Condensed Matter - Volume 407, Issue 4, 15 February 2012, Pages 743–747
نویسندگان
Zhenzhen Weng, Zhigao Huang, Wenxiong Lin,