Calculated polarizabilities of small Si clusters

被引：47

作者：

Deng, K ^{[1
]}

Yang, JL

Chan, CT

机构：

[1] Univ Sci & Technol China, Open Lab Bond Select Chem, Hefei 230026, Peoples R China

[2] Hong Kong Univ Sci & Technol, Dept Phys, Hong Kong, Hong Kong, Peoples R China

来源：

PHYSICAL REVIEW A | 2000年 / 61卷 / 02期

关键词：

D O I：

10.1103/PhysRevA.61.025201

中图分类号：

O43 [光学];

学科分类号：

070207 ; 0803 ;

摘要：

The polarizabilities of Si clusters with 9 to 28 atoms are calculated using a density functional cluster method. The atomic geometries are based on those carefully optimized by energy minimization. The polarizability shows fairly irregular variation with cluster size, but all calculated values are higher than the polarizability of a dielectric sphere with bulk dielectric constant and equivalent volume.

引用

页数：4

共 15 条

[1] SURFACE AND THERMODYNAMIC INTERATOMIC FORCE-FIELDS FOR SILICON CLUSTERS AND BULK PHASES
CHELIKOWSKY, JR
PHILLIPS, JC
KAMAL, M
STRAUSS, M
[J]. PHYSICAL REVIEW LETTERS, 1989, 62 (03) : 292 - 295
[2] 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
[3] Family of low-energy elongated Si-n (n<=50) clusters
Grossman, JC
Mitas, L
[J]. PHYSICAL REVIEW B, 1995, 52 (23): : 16735 - 16738
[4] QUANTUM MONTE-CARLO DETERMINATION OF ELECTRONIC AND STRUCTURAL-PROPERTIES OF SI-N CLUSTERS (N-LESS-THAN-OR-EQUAL-TO-20)
GROSSMAN, JC
MITAS, L
[J]. PHYSICAL REVIEW LETTERS, 1995, 74 (08) : 1323 - 1326
[5] Structures of medium-sized silicon clusters
Ho, KM
Shvartsburg, AA
Pan, BC
Lu, ZY
Wang, CZ
Wacker, JG
Fye, JL
Jarrold, MF
[J]. NATURE, 1998, 392 (6676) : 582 - 585
[6] Density-functional-based predictions of Raman and IR spectra for small Si clusters
Jackson, K
Pederson, MR
Porezag, D
Hajnal, Z
Frauenheim, T
[J]. PHYSICAL REVIEW B, 1997, 55 (04): : 2549 - 2555
[7] Calculated polarizabilities of intermediate-size Si clusters
Jackson, K
Pederson, M
Wang, CZ
Ho, KM
[J]. PHYSICAL REVIEW A, 1999, 59 (05): : 3685 - 3689
[8] Ionization of medium-sized silicon clusters and the geometries of the cations
Liu, B
Lu, ZY
Pan, BC
Wang, CZ
Ho, KM
Shvartsburg, AA
Jarrold, MF
[J]. JOURNAL OF CHEMICAL PHYSICS, 1998, 109 (21) : 9401 - 9409
[9] PAN B, COMMUNICATION
[10] ATOMS, MOLECULES, SOLIDS, AND SURFACES - APPLICATIONS OF THE GENERALIZED GRADIENT APPROXIMATION FOR EXCHANGE AND CORRELATION
PERDEW, JP
CHEVARY, JA
VOSKO, SH
JACKSON, KA
PEDERSON, MR
SINGH, DJ
FIOLHAIS, C
[J]. PHYSICAL REVIEW B, 1992, 46 (11): : 6671 - 6687

← 1 2 →