Abstract
The pressure-induced structural transformations in spherical and faceted gallium arsenide nanocrystals of various shapes and sizes were investigated using a parallel molecular-dynamics approach. It was observed that spherical nanocrystals above a critical diameter ≥ 44 Å transform with grain boundaries. It was also observed that faceted nanocrystals of comparable size had grain boundaries in 60% of the cases, whereas the other 40% were free of grain boundaries. The results show that the pressure for zinc blende to rocksalt structural transformation depends on the nanocrystal size, and all nanocrystals undergo nonuniform deformation during the transformation.
| Original language | English |
|---|---|
| Journal | Physical Review Letters |
| Volume | 93 |
| Issue number | 20 |
| DOIs | |
| State | Published - Nov 12 2004 |
| Externally published | Yes |
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