Journal
PHYSICAL REVIEW B
Volume 83, Issue 15, Pages -Publisher
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.83.153407
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Funding
- NSF [CMMI-0856250, CMMI-0825592]
- Directorate For Engineering
- Div Of Civil, Mechanical, & Manufact Inn [0825592] Funding Source: National Science Foundation
- Div Of Civil, Mechanical, & Manufact Inn
- Directorate For Engineering [0856250] Funding Source: National Science Foundation
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Using density functional theory calculations, we compute the edge energies and stresses for edges of SiC and BN nanoribbons, and the boundary energies and stresses for domain boundaries of graphene-BN superlattices. SiC and BN armchair nanoribbons show pronounced edge relaxations, which obliterate the threefold oscillatory behavior of the edge stress reported for graphene. Our calculations show small boundary stresses in graphene-BN superlattices, suggesting that such domain boundaries will not experience severe deformation. We have also found that the C-terminated and Si-terminated zigzag edges in SiC nanoribbons have different compressive stresses which results in different rippling behavior of these edges.
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