کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
1593148 1002687 2012 4 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
First-principles study on the origin of ferromagnetism in n-type Cu-doped ZnO
موضوعات مرتبط
مهندسی و علوم پایه مهندسی مواد دانش مواد (عمومی)
پیش نمایش صفحه اول مقاله
First-principles study on the origin of ferromagnetism in n-type Cu-doped ZnO
چکیده انگلیسی

Based on the density functional calculations with the GGA+U correction, we elucidate the origin of the experimentally reported ferromagnetism in n-type Cu-doped ZnO. Pure Cu-doped ZnO shows the unoccupied 3d states in the gap introduced by Cu, resulting in the insulating ground state and weak magnetic exchange interactions, in contrast to the half-metallic ground state and high ferromagnetic stability predicted by the calculations without U correction. However, the electron traps induced by Cu in n-type Cu-doped ZnO may lead to the partial occupancy of the Cu gap states, which stabilize the ferromagnetic ordering between two Cu atoms.


► Revealed the origin of the experimental ferromagnetism arising in n-type Cu-doped ZnO.
► Found that ZnO doped by Cu shows the unoccupied 3d states in the gap introduced by Cu.
► Recognized electron traps induced by Cu atoms, which stabilizes the ferromagnetic ordering.

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Solid State Communications - Volume 152, Issue 12, June 2012, Pages 1057–1060
نویسندگان
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