Document Type

Conference Paper/Presentation

Publication Date



Based on ab initio quantum-chemical and density functional methods we determined the geometry, electronic and structural properties of three cluster-families: boron spheres, double-rings and quasi-planars up to a cluster size of 122 atoms. The most stable structure is the B100 sphere showing similar shape but more stability than the B80 cage recently proposed by Yakobson et al [PRL 98, 166804 (2007)]. In addition we compared the stability of the three cluster families to each other, and reported the structural transition from 2D quasiplanar clusters to 3D double-rings. This transition occurs between the B16 and B19 clusters.

Publisher's Statement

Copyright 2009 IOP Publishing Ltd. Publisher’s version of record:

Publication Title

Journal of Physics: Conference Series


Publisher's PDF

Included in

Physics Commons



To view the content in your browser, please download Adobe Reader or, alternately,
you may Download the file to your hard drive.

NOTE: The latest versions of Adobe Reader do not support viewing PDF files within Firefox on Mac OS and if you are using a modern (Intel) Mac, there is no official plugin for viewing PDF files within the browser window.