Theoretical study of nanoclusters at ionic surfaces: Properties of (NaCl){sub {ital n}} clusters ({ital n}=1--48) at the (100) MgO surface
- The Royal Institution of Great Britain, 21 Albemarle St., London W1X 4BS (United Kingdom)
- The Royal Institution of Great Britian, 21 Albemarle St., London W1X 4BS (United Kingdom)
We have studied (NaCl){sub {ital n}} clusters ({ital n}=1--48) on the (100) MgO surface using the atomistic simulation technique. The geometry, binding energy, and interaction of these clusters with the surface are calculated and discussed. We address the questions at which cluster size do the adsorbed molecules lose their identity and how do strained clusters accommodate the strain. The relation between the structure of initial molecular fragments adsorbed at the surface and the structure of the corresponding thick film and some general features of the structure and properties of small molecular clusters at ionic surfaces with large geometric misfit are discussed. The results are compared with the calculated structures of the free clusters and the experimental data on the molecular beam epitaxy of alkali halides. {copyright} {ital 1995} {ital American} {ital Vacuum} {ital Society}
- OSTI ID:
- 172046
- Journal Information:
- Journal of Vacuum Science and Technology. B, Microelectronics Processing and Phenomena, Vol. 13, Issue 3; Other Information: PBD: May 1995
- Country of Publication:
- United States
- Language:
- English
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