Carbon clusters near the crossover to fullerene stability

被引:86
作者
Kent, PRC [1 ]
Towler, MD [1 ]
Needs, RJ [1 ]
Rajagopal, G [1 ]
机构
[1] Univ Cambridge, Cavendish Lab, Cambridge CB3 0HE, England
关键词
D O I
10.1103/PhysRevB.62.15394
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
The energetic stability of structural isomers of C-24, C-26, C-28, and C-32 clusters, including fullerenes, is studied using diffusion quantum Monte Carlo methods. We predict that a C-24 isomer is the smallest stable graphitic fragment and that the smallest stable fullerenes are the C-26 and C-28 clusters with C-2v and T-d symmetry, respectively. Given suitable experimental conditions these small fullerenes should therefore be producible in abundance, facilitating production of fullerene-based solids.
引用
收藏
页码:15394 / 15397
页数:4
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