Ab initio calculations for the polarizabilities of small semiconductor clusters

被引:225
|
作者
Vasiliev, I [1 ]
Ogut, S [1 ]
Chelikowsky, JR [1 ]
机构
[1] UNIV MINNESOTA,MINNESOTA SUPERCOMP INST,MINNEAPOLIS,MN 55455
关键词
D O I
10.1103/PhysRevLett.78.4805
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
Polarizabilities of small Si-n, Ge-n (n less than or equal to 10), and GanAsm (n + m less than or equal to 8) clusters are calculated using the higher-order finite-difference pseudopotential method in real space. We find the polarizabilities of the clusters considered to be higher than the value estimated from the ''hard sphere'' model using the bulk static dielectric constant. The computed polarizabilities per atom tend to decrease with increasing the cluster size. This trend resembles the case of metallic clusters, for which the bulk limit is approached from above, and confirms the ''metalliclike'' nature of small semiconductor clusters.
引用
收藏
页码:4805 / 4808
页数:4
相关论文
共 50 条
  • [1] Ab initio calculations for the polarizabilities of small sulfur clusters
    Bai, YL
    Chen, XR
    Cheng, XH
    Yang, XD
    CHINESE PHYSICS LETTERS, 2005, 22 (11) : 2795 - 2797
  • [2] Ab initio calculations for the absorption spectra and polarizabilities of small sulfur clusters
    Bai Yu-Lin
    Chen Xiang-Rong
    Cheng Xiao-Hong
    Yang Xiang-Dong
    CHINESE PHYSICS, 2007, 16 (03): : 700 - 706
  • [3] Ab initio calculations on small lithium clusters
    Rousseau, R
    Marx, D
    PHYSICAL REVIEW A, 1997, 56 (01) : 617 - 625
  • [4] Accurate dipole polarizabilities of small silicon clusters from ab initio and density functional theory calculations
    Maroulis, G
    Begué, D
    Pouchan, C
    JOURNAL OF CHEMICAL PHYSICS, 2003, 119 (02): : 794 - 797
  • [5] The Challenge of ab Initio Calculations in Small Neon Clusters
    Ema, Ignacio
    Ramirez, Guillermo
    Lopez, Rafael
    Fabian, Jesus San
    de la Vega, Jose M. Garcia
    CHEMPHYSCHEM, 2023, 24 (24)
  • [6] ab initio LCAO calculations of small helium clusters
    Mazzone, AM
    INTERNATIONAL JOURNAL OF MODERN PHYSICS C, 1997, 8 (06): : 1299 - 1307
  • [7] Ab initio structures and polarizabilities of sodium clusters
    Kronik, L
    Vasiliev, I
    Jain, M
    Chelikowsky, JR
    JOURNAL OF CHEMICAL PHYSICS, 2001, 115 (09): : 4322 - 4332
  • [8] Ab initio calculations for structure and temperature effects on the polarizabilities of Nan (n≤20) clusters
    Kronik, L
    Vasiliev, I
    Chelikowsky, JR
    PHYSICAL REVIEW B, 2000, 62 (15): : 9992 - 9995
  • [9] Ab initio calculations of clusters
    Weigend, F
    CFN LECTURES ON FUNCTIONAL NANOSTRUCTURES, VOL 1, 2005, 658 : 205 - 219
  • [10] Polarizabilities of oxazoles: Ab initio calculations and simple models
    Kassimi, NE
    Doerksen, RJ
    Thakkar, AJ
    JOURNAL OF PHYSICAL CHEMISTRY, 1996, 100 (21): : 8752 - 8757