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| Content Provider | Springer Nature Link |
|---|---|
| Author | Zhang, Jian Min Chen, Zhigao Zhong, Kehua Xu, Guigui Huang, Zhigao |
| Copyright Year | 2014 |
| Abstract | The structural stability, vibrational and magnetic properties of hydrogen doped ZnO:Co have been studied by first-principles calculations based on density functional theory. Bond-center (BC) sites were identified to be most stable sites for hydrogen, the corresponding vibrational frequencies including anharmonic contributions were calculated. Its magnetic properties were investigated as well. The calculated results reveal that hydrogen could induce the change of electronic transfer, leading to a decrease of magnetic moment. However, the magnetic coupling between Co atoms is greatly strengthen. The results simulated by Monte Carlo method indicate that hydrogen can induce the Curie temperature to increase from 200 to 300 K. |
| Starting Page | 3232 |
| Ending Page | 3238 |
| Page Count | 7 |
| File Format | |
| ISSN | 10016538 |
| Journal | Chinese Science Bulletin |
| Volume Number | 59 |
| Issue Number | 26 |
| e-ISSN | 18619541 |
| Language | English |
| Publisher | Science China Press |
| Publisher Date | 2014-05-24 |
| Publisher Place | Heidelberg |
| Access Restriction | Subscribed |
| Subject Keyword | Diluted magnetic semiconductors First principles calculation Monte Carlo simulation Science Life Sciences Physics Chemistry/Food Science Earth Sciences Engineering |
| Content Type | Text |
| Resource Type | Article |
| Subject | Multidisciplinary |
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