Energetics of charged metallic particles: From atom to bulk solid

John P. Perdew
Phys. Rev. B 37, 6175 – Published 15 April 1988
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Abstract

The energy of a spherical metallic particle of radius R, charged with Z excess electrons, is simply EZ=E0-ZW+Z2e2/2(R+a), where W is the bulk work function, e is the charge of one electron, and R+a is the radial centroid of the excess charge. Consequently, the ionization energy is I=W+e2/2(R+a), and the electron affinity is A=W-e2/2(R+a). These formulas apply even to the smallest microparticle, a single monovalent atom. Thus they may be used to estimate the bulk work function W=(I+A)/2 and density parameter (Wigner-Seitz radius) rs from atomic values for I and A; rs is the solution of the equation rs+a(rs)=e2/(I-A). The link between microcosm and macrocosm is further shown by the relationship ɛcohσ4πrs2 between the cohesive energy ɛcoh and the surface tension σ. These relationships are illustrated for atoms and small jellium spheres.

  • Received 9 June 1987

DOI:https://doi.org/10.1103/PhysRevB.37.6175

©1988 American Physical Society

Authors & Affiliations

John P. Perdew

  • Department of Physics and Quantum Theory Group, Tulane University, New Orleans, Louisiana 70118

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Issue

Vol. 37, Iss. 11 — 15 April 1988

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