SIMULATED-ANNEALING STUDIES OF STRUCTURAL TRENDS IN CARBON CLUSTERS

被引：31
|
作者：
XU, CH [1 ]
WANG, CZ [1 ]
CHAN, CT [1 ]
HO, KM [1 ]
机构：
[1] IOWA STATE UNIV SCI & TECHNOL,DEPT PHYS & MICROELECTR RES CTR,AMES,IA 50011
来源：
PHYSICAL REVIEW B | 1993年 / 47卷 / 15期
关键词：
D O I：
10.1103/PhysRevB.47.9878
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
The structural properties of carbon clusters (C(n), n = 2 - 60) are studied using tight-binding molecular-dynamics simulations. The low-energy ground-state configurations of the clusters are obtained by annealing and compressing n carbon atoms (n = 2 - 60) from the gas phase at high temperatures ( greater-than-or-equal-to 6000 K). We observed a transition from one-dimensional linear and cyclic structures to two-dimensional cage structures as the number of atoms in the cluster increases beyond n = 20.
引用
收藏
页码：9878 / 9880
页数：3
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