ELECTRONIC-STRUCTURES AND STABILITY OF SI-60 AND C-60-AT-SI-60 CLUSTERS

被引:34
作者
GONG, XG
ZHENG, QQ
机构
[1] Institute of Solid State Physics, Academia Sinica
来源
PHYSICAL REVIEW B | 1995年 / 52卷 / 07期
关键词
D O I
10.1103/PhysRevB.52.4756
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
The electronic structure and stability of a fullerenelike Si-60 cluster have been studied by the density functional theory with the local density approximation. Our results suggest that the icosahedral structure of Si-60 is an energy minimum, and the electronic structure near the Fermi level is similar to that of a C-60 duster. We have found that the C-60 cluster is a good candidate to stabilize the Si-60 cluster.
引用
收藏
页码:4756 / 4759
页数:4
相关论文
共 18 条
  • [11] ASSEMBLING CRYSTALS FROM CLUSTERS
    KHANNA, SN
    JENA, P
    [J]. PHYSICAL REVIEW LETTERS, 1992, 69 (11) : 1664 - 1667
  • [12] STRUCTURE OF SI60 - CAGE VERSUS NETWORK STRUCTURES
    MENON, M
    SUBBASWAMY, KR
    [J]. CHEMICAL PHYSICS LETTERS, 1994, 219 (3-4) : 219 - 222
  • [13] MENON M, 1993, PHYS REV B, V48, P8998
  • [14] SI60 AND SI60X (X = NE, F- AND NA+)
    NAGASE, S
    KOBAYASHI, K
    [J]. CHEMICAL PHYSICS LETTERS, 1991, 187 (03) : 291 - 294
  • [15] AM1 PREDICTION OF THE EQUILIBRIUM GEOMETRY OF SI60
    PIQUERAS, MC
    CRESPO, R
    ORTI, E
    TOMAS, F
    [J]. CHEMICAL PHYSICS LETTERS, 1993, 213 (5-6) : 509 - 513
  • [16] ELECTRONIC-STRUCTURES OF THE NEGATIVE-IONS SI-2--SI-10- - ELECTRON-AFFINITIES OF SMALL SILICON CLUSTERS
    RAGHAVACHARI, K
    ROHLFING, CM
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1991, 94 (05) : 3670 - 3678
  • [17] ROSSEINSKY MJ, 1991, PHYS REV LETT, V66, P1154
  • [18] LOCAL EXCHANGE-CORRELATION POTENTIAL FOR SPIN POLARIZED CASE .1.
    VONBARTH, U
    HEDIN, L
    [J]. JOURNAL OF PHYSICS PART C SOLID STATE PHYSICS, 1972, 5 (13): : 1629 - +