Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
1861639 | Physics Letters A | 2010 | 4 Pages |
Abstract
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.
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Physical Sciences and Engineering
Physics and Astronomy
Physics and Astronomy (General)
Authors
Xiaoqiu Wang, Baolin Wang, Lingli Tang, Linwei Sai, Jijun Zhao,