STRUCTURE AND DYNAMICS OF C-60 AND C-70 FROM TIGHT-BINDING MOLECULAR-DYNAMICS

被引：67
|
作者：
WANG, CZ [1 ]
CHAN, CT [1 ]
HO, KM [1 ]
机构：
[1] IOWA STATE UNIV SCI & TECHNOL,DEPT PHYS & ASTRON,AMES,IA 50011
来源：
PHYSICAL REVIEW B | 1992年 / 46卷 / 15期
关键词：
D O I：
10.1103/PhysRevB.46.9761
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
Structural and vibrational properties of C60 and C70 fullerenes are studied by molecular dynamics using a recently developed tight-binding potential model. It is shown that this tight-binding molecular-dynamics scheme has accuracy comparable to ab initio techniques and is very efficient for studying the finite temperature properties of fullerenes.
引用
收藏
页码：9761 / 9767
页数：7
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