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Tight-binding molecular dynamics study of C-60, C-116 and C-120
Cao, ZL; Yu, XP; Xiang, JB; Ding, PZ; Han, RS; Cao, ZL , BEIJING UNIV,DEPT PHYS,BEIJING 100871,PEOPLES R CHINA.
1996
发表期刊MODERN PHYSICS LETTERS B
ISSN0217-9849
卷号10期号:17页码:831-838
摘要The geometric structures of C-60, C-116 and C-120 in their ground states are obtained by tight-binding dynamic molecular simulation (TBMD). We find that the ground state of C-60 has high symmetry, I-h, but C-116 and C-120 have low symmetry, D-2h. The energy bands and vibrational modes of C-116 and C-120 are complex compared with C-60. Some of them can be easily recognized as C-60 derived and are no longer degenerate but very close, and others are produced by the interaction and relative movement between two C-58 or two C-60.
部门归属ACAD SINICA,INST THEORET PHYS,BEIJING 100080,PEOPLES R CHINA; JILIN UNIV,INST ATOM & MOL,JILIN 130061,PEOPLES R CHINA
关键词Solid C-60 Electronic-properties Amorphous-carbon C60 Silicon Films
学科领域Physics
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收录类别SCI
文献类型期刊论文
条目标识符http://ir.itp.ac.cn/handle/311006/12606
专题理论物理所SCI论文
通讯作者Cao, ZL , BEIJING UNIV,DEPT PHYS,BEIJING 100871,PEOPLES R CHINA.
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Cao, ZL,Yu, XP,Xiang, JB,et al. Tight-binding molecular dynamics study of C-60, C-116 and C-120[J]. MODERN PHYSICS LETTERS B,1996,10(17):831-838.
APA Cao, ZL,Yu, XP,Xiang, JB,Ding, PZ,Han, RS,&Cao, ZL , BEIJING UNIV,DEPT PHYS,BEIJING 100871,PEOPLES R CHINA..(1996).Tight-binding molecular dynamics study of C-60, C-116 and C-120.MODERN PHYSICS LETTERS B,10(17),831-838.
MLA Cao, ZL,et al."Tight-binding molecular dynamics study of C-60, C-116 and C-120".MODERN PHYSICS LETTERS B 10.17(1996):831-838.
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