A molecular dynamics study of structural relaxation in tetrahedrally coordinated nanocrystals.

The reorganisation of nanocrystals in order to reduce their surface energies has been examined in computer simulations. The relaxation takes a qualitatively different path for sphalerite- and wurtzite-structured particles. The surfaces of the sphalerite particles reconstruct into hexagonal nets, but...

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Bibliographic Details
Main Authors: Morgan, B, Madden, P
Format: Journal article
Language:English
Published: 2007