Unraveling the Shape Transformation in Silicon Clusters
Journal Article
·
· Physical Review Letters
The prolate-to-spherical shape transition in Group IV clusters has been a puzzle since its discovery over a decade ago. Here we explain this phenomenon by elucidating the structures of Sin and Sin+ with n = 20-27. The geometries were obtained in unbiased searches using a new ''big bang'' optimization method. They are substantially more stable than any found to date, and their ion mobilities and dissociation energies are in excellent agreement with experiment. The present results prove that the packing of midsize clusters is thermodynamically controlled and open the door to understanding the evolution of semiconductor nanosystems towards the bulk.
- Research Organization:
- Pacific Northwest National Lab., Richland, WA (US)
- Sponsoring Organization:
- US Department of Energy (US)
- DOE Contract Number:
- AC06-76RL01830
- OSTI ID:
- 15008824
- Report Number(s):
- PNNL-SA-39819; TRN: US200427%%174
- Journal Information:
- Physical Review Letters, Vol. 93, Issue 1; Other Information: PBD: 2 Jul 2004
- Country of Publication:
- United States
- Language:
- English
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