The stabilization and growth of nanocrystals in non-native structures is explored via density functional calculations. Non-native and native bulk structures differ in their discrete translational symmetry. Computations suggest that the lower surface energy of the non-native structures always facilitates their stabilization in the early stages of crystal growth. In the compound semiconductors considered here, the transition pathways between non-native and native structures involve planar or near-planar depolarized layers and the growth conditions have significant effects on the stabilization and growth of non-native structures. The findings of this study help in identifying heuristics for the synthesis of non-native nanocrystals.
Pandey, M., & Pala, R. G. S. (2012). Stabilization and growth of non-native nanocrystals at low and atmospheric pressures. Journal of Chemical Physics, 136(4), 044703. https://doi.org/10.1063/1.3678181