ELECTRONIC-STRUCTURE OF SMALL ICOSAHEDRAL SILICON CLUSTERS

被引：11

作者：

GU, BL ^{[1
]}

LI, ZQ ^{[1
]}

ZHU, JL ^{[1
]}

机构：

[1] TSING HUA UNIV, DEPT PHYS, BEIJING 100084, PEOPLES R CHINA

来源：

JOURNAL OF PHYSICS-CONDENSED MATTER | 1993年 / 5卷 / 30期

关键词：

D O I：

10.1088/0953-8984/5/30/005

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

The electronic structure of small icosahedral (I(h)) silicon clusters has been studied using the discrete variational method within the local density functional theory. The I(h) Si13 cluster is not a closed-shell structure, in contrast to the predictions of empirical calculations. The Si-13(2+) cluster is found to be stable, with an exceptionally large LUMO-HOMO gap.

引用

页码：5255 / 5260

页数：6

共 39 条

[1] AMMONIA CHEMISORPTION STUDIES ON SILICON CLUSTER IONS
ALFORD, JM
LAAKSONEN, RT
SMALLEY, RE
[J]. JOURNAL OF CHEMICAL PHYSICS, 1991, 94 (04) : 2618 - 2630
[2] TRANSFERABILITY OF BULK EMPIRICAL POTENTIALS TO SILICON MICROCLUSTERS - A CRITICAL-STUDY
ANDREONI, W
PASTORE, G
[J]. PHYSICAL REVIEW B, 1990, 41 (14) : 10243 - 10246
[3] BERNSTEIN RF, 1991, 5TH P INT M SMALL PA, V19
[4] PHOTOFRAGMENTATION OF MASS-RESOLVED SI-2-12(+) CLUSTERS
BLOOMFIELD, LA
FREEMAN, RR
BROWN, WL
[J]. PHYSICAL REVIEW LETTERS, 1985, 54 (20) : 2246 - 2249
[5] NEGATIVE AND POSITIVE CLUSTER IONS OF CARBON AND SILICON
BLOOMFIELD, LA
GEUSIC, ME
FREEMAN, RR
BROWN, WL
[J]. CHEMICAL PHYSICS LETTERS, 1985, 121 (1-2) : 33 - 37
[6] CHEMICAL-REACTIVITY AND COVALENT-METALLIC BONDING OF SIN + (N= 11-25) CLUSTERS
CHELIKOWSKY, JR
PHILLIPS, JC
[J]. PHYSICAL REVIEW LETTERS, 1989, 63 (15) : 1653 - 1656
[7] ELECTRONIC-STRUCTURE AND BINDING-ENERGIES OF ALUMINUM CLUSTERS
CHENG, HP
BERRY, RS
WHETTEN, RL
[J]. PHYSICAL REVIEW B, 1991, 43 (13): : 10647 - 10653
[8] ULTRAVIOLET PHOTOELECTRON-SPECTROSCOPY OF SEMICONDUCTOR CLUSTERS - SILICON AND GERMANIUM
CHESHNOVSKY, O
YANG, SH
PETTIETTE, CL
CRAYCRAFT, MJ
LIU, Y
SMALLEY, RE
[J]. CHEMICAL PHYSICS LETTERS, 1987, 138 (2-3) : 119 - 124
[9] EFFICIENT AND ACCURATE EXPANSION METHODS FOR MOLECULES IN LOCAL DENSITY MODELS
DELLEY, B
ELLIS, DE
[J]. JOURNAL OF CHEMICAL PHYSICS, 1982, 76 (04) : 1949 - 1960
[10] MAGIC NUMBERS FOR SPHERE PACKINGS - EXPERIMENTAL-VERIFICATION IN FREE XENON CLUSTERS
ECHT, O
SATTLER, K
RECKNAGEL, E
[J]. PHYSICAL REVIEW LETTERS, 1981, 47 (16) : 1121 - 1124

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