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A first-principles study of the magnetic properties in boron-doped ZnO |
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| Authors: | Xu Xiao-Guang Yang Hai-Ling Wu Yong Zhang De-Lin Jiang Yong |
| Institution: | State Key Laboratory for Advanced Metals and Materials, School of Materials Science and Engineering, University of Science and Technology Beijing, Beijing 100083, China |
| Abstract: | First-principles calculations based on density functional theory are performed to study the origin of ferromagnetism in boron-doped ZnO. It is found that boron atoms tend to reside at Zn sites. The induced Zn vacancy is a key factor for ferromagnetism in Zn1-xBxO (0 |
| Keywords: | diluted magnetic semiconductors ZnO doping |
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