کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1593148 | 1002687 | 2012 | 4 صفحه PDF | دانلود رایگان |
![عکس صفحه اول مقاله: First-principles study on the origin of ferromagnetism in n-type Cu-doped ZnO First-principles study on the origin of ferromagnetism in n-type Cu-doped ZnO](/preview/png/1593148.png)
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.
Journal: Solid State Communications - Volume 152, Issue 12, June 2012, Pages 1057–1060