First-principles study of defects in blue phosphorene
Using first-principles density functional theory calculations, we investigate the energetics and electronic properties of Stone Wales and vacancy defects in blue phosphorene. Among these defects, the Stone Wales defect has the lowest formation energy of 1.49 eV. Single and double vacancy defects hav...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
IOP Publishing
2019-01-01
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| Series: | Materials Research Express |
| Subjects: | |
| Online Access: | https://doi.org/10.1088/2053-1591/ab59fc |