Electronic structure and ferromagnetic properties of Zn vacancies in ZnO screw dislocations: First-principles calculations
First principle calculation, based on density functional theory, is applied to study the configuration and electronic structure of ZnO screw dislocations along [0001] and [112¯0]. O-O bonds can be found in the core of dislocations along [0001], which induces an occupied energy level in forbidden ban...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
AIP Publishing LLC
2018-06-01
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| Series: | AIP Advances |
| Online Access: | http://dx.doi.org/10.1063/1.5034501 |