Abstract
We use Monte Carlo simulations to study the properties of the interfaces between and , more specifically planar interfaces and interfaces between and embedded Si nanocrystals (NCs). We find that the interface with suboxide only has the lowest interfacial energy among the planar cases considered. We also find that embedded NCs smaller than have even lower interfacial energy, suggesting that a faceted shape is favorable only for large NCs. No significant differences are observed between normal and twinned NCs, indicating that the experimentally observed stacking faults might result from the coalescence of small defect-free NCs.
- Received 23 July 2007
DOI:https://doi.org/10.1103/PhysRevB.77.085204
©2008 American Physical Society