Investigations of point defect and interface in cg-N under high-pressure
The properties of cg-N with point defects and an interface are investigated based on the first-principles method. Our results show that at 0 GPa, the stability of cavities depends on their size. A smaller cavity has higher stability than the larger case. The decomposition of N2 molecules mainly occu...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
AIP Publishing LLC
2023-05-01
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| Series: | AIP Advances |
| Online Access: | http://dx.doi.org/10.1063/5.0152341 |