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Title: Static polarizabilities of dielectric nanoclusters

Abstract

A cluster consisting of many atoms or molecules may be considered, in some circumstances, to be a single large molecule with a well-defined polarizability. Once the polarizability of such a cluster is known, one can evaluate certain properties--e.g. the cluster's van der Waals interactions, using expressions derived for atoms or molecules. In the present work, we evaluate the static polarizability of a cluster using a microscopic method that is exact within the linear and dipolar approximations. Numerical examples are presented for various shapes and sizes of clusters composed of identical atoms, where the term 'atom' actually refers to a generic constituent, which could be any polarizable entity. The results for the clusters' polarizabilities are compared with those obtained by assuming simple additivity of the constituents' atomic polarizabilities; in many cases, the difference is large, demonstrating the inadequacy of the additivity approximation. Comparison is made (for symmetrical geometries) with results obtained from continuum models of the polarizability. Also, the surface effects due to the nonuniform local field near a surface or edge are shown to be significant.

Authors:
; ;  [1];  [2];  [3];  [2];  [4]
  1. Department of Physics, Pennsylvania State University, University Park, Pennsylvania 16802 (United States)
  2. (United States)
  3. Chemical Engineering, Pennsylvania State University, University Park, Pennsylvania 16802 (United States)
  4. Physics Department, Indian Institute of Technology-Bombay, Powai, Mumbai 400076 (India)
Publication Date:
OSTI Identifier:
20786525
Resource Type:
Journal Article
Resource Relation:
Journal Name: Physical Review. A; Journal Volume: 72; Journal Issue: 5; Other Information: DOI: 10.1103/PhysRevA.72.053201; (c) 2005 The American Physical Society; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
74 ATOMIC AND MOLECULAR PHYSICS; APPROXIMATIONS; ATOMIC CLUSTERS; ATOMS; COMPARATIVE EVALUATIONS; DIELECTRIC MATERIALS; GEOMETRY; MOLECULES; NANOSTRUCTURES; POLARIZABILITY; POLARIZATION; SURFACES; VAN DER WAALS FORCES

Citation Formats

Kim, Hye-Young, Sofo, Jorge O., Cole, Milton W., Materials Research Institute, Pennsylvania State University, University Park, Pennsylvania 16802, Velegol, Darrell, Materials Research Institute, The Pennsylvania State University, University Park, Pennsylvania 16802, and Mukhopadhyay, Gautam. Static polarizabilities of dielectric nanoclusters. United States: N. p., 2005. Web. doi:10.1103/PHYSREVA.72.0.
Kim, Hye-Young, Sofo, Jorge O., Cole, Milton W., Materials Research Institute, Pennsylvania State University, University Park, Pennsylvania 16802, Velegol, Darrell, Materials Research Institute, The Pennsylvania State University, University Park, Pennsylvania 16802, & Mukhopadhyay, Gautam. Static polarizabilities of dielectric nanoclusters. United States. doi:10.1103/PHYSREVA.72.0.
Kim, Hye-Young, Sofo, Jorge O., Cole, Milton W., Materials Research Institute, Pennsylvania State University, University Park, Pennsylvania 16802, Velegol, Darrell, Materials Research Institute, The Pennsylvania State University, University Park, Pennsylvania 16802, and Mukhopadhyay, Gautam. Tue . "Static polarizabilities of dielectric nanoclusters". United States. doi:10.1103/PHYSREVA.72.0.
@article{osti_20786525,
title = {Static polarizabilities of dielectric nanoclusters},
author = {Kim, Hye-Young and Sofo, Jorge O. and Cole, Milton W. and Materials Research Institute, Pennsylvania State University, University Park, Pennsylvania 16802 and Velegol, Darrell and Materials Research Institute, The Pennsylvania State University, University Park, Pennsylvania 16802 and Mukhopadhyay, Gautam},
abstractNote = {A cluster consisting of many atoms or molecules may be considered, in some circumstances, to be a single large molecule with a well-defined polarizability. Once the polarizability of such a cluster is known, one can evaluate certain properties--e.g. the cluster's van der Waals interactions, using expressions derived for atoms or molecules. In the present work, we evaluate the static polarizability of a cluster using a microscopic method that is exact within the linear and dipolar approximations. Numerical examples are presented for various shapes and sizes of clusters composed of identical atoms, where the term 'atom' actually refers to a generic constituent, which could be any polarizable entity. The results for the clusters' polarizabilities are compared with those obtained by assuming simple additivity of the constituents' atomic polarizabilities; in many cases, the difference is large, demonstrating the inadequacy of the additivity approximation. Comparison is made (for symmetrical geometries) with results obtained from continuum models of the polarizability. Also, the surface effects due to the nonuniform local field near a surface or edge are shown to be significant.},
doi = {10.1103/PHYSREVA.72.0},
journal = {Physical Review. A},
number = 5,
volume = 72,
place = {United States},
year = {Tue Nov 15 00:00:00 EST 2005},
month = {Tue Nov 15 00:00:00 EST 2005}
}