Published January 25, 2010
| Version v1
Journal article
What is atomic structures of (ZnO)34 magic cluster?
- 1. Department of Physics, Huaiyin Normal University, Jiangsu 223001 (China)
- 2. Department of Physics, Yancheng Institute of Technology, Jiangsu 224051 (China)
- 3. Laboratory of Materials Modification by Laser, Electron, and Ion Beams, and College of Advanced Science and Technology, Dalian University of Technology, Dalian 116024 (China)
- 4. Jiangsu Key Laboratory for Chemistry of Low-Dimensional Materials, Huaiyin Normal University, Jiangsu, 223001 (China)
Description
Recent experiment on the mass spectrum of ZnO clusters revealed a (ZnO)34 magic cluster with enhanced stability [A. Dmytruk, et al., Microelect. J. 40 (2009) 218]. We have performed an extensive search for the most stable structure of (ZnO)34 using gradient-corrected density-functional theory. Instead of the previously nominated onion-like nested cage of (ZnO)6-(ZnO)28, we found that the hollow cage structures satisfying the isolated six square rule constitute the most preferred structural motif for (ZnO)34 cluster.
Availability note (English)
Available from http://dx.doi.org/10.1016/j.physleta.2009.11.085Additional details
Identifiers
- DOI
- 10.1016/j.physleta.2009.11.085;
- PII
- S0375-9601(09)01519-9;
Publishing Information
- Journal Title
- Physics Letters. A
- Journal Volume
- 374
- Journal Issue
- 6
- Journal Page Range
- p. 850-853
- ISSN
- 0375-9601
- CODEN
- PYLAAG
INIS
- Country of Publication
- Netherlands
- Country of Input or Organization
- International Atomic Energy Agency (IAEA)
- INIS RN
- 41112901
- Subject category
- S74: ATOMIC AND MOLECULAR PHYSICS;
- Descriptors DEI
- ATOMIC CLUSTERS; DENSITY FUNCTIONAL METHOD; MASS SPECTRA; STABILITY; ZINC OXIDES
- Descriptors DEC
- CALCULATION METHODS; CHALCOGENIDES; OXIDES; OXYGEN COMPOUNDS; SPECTRA; VARIATIONAL METHODS; ZINC COMPOUNDS
Optional Information
- Copyright
- Copyright (c) 2009 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.