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

页码：9878 / 9880

页数：3

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