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April 15, 1988Physical review. B, Condensed matter198 citations

Energetics of charged metallic particles: From atom to bulk solid

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JPJohn P. Perdew

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Abstract

The energy of a spherical metallic particle of radius R, charged with Z excess electrons, is simply Eₙ=E₀-ZW+Z^2e^2/2 (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+e^2/2 (R+a), and the electron affinity is A=W-e^2/2 (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) rₒ from atomic values for I and A; rₒ is the solution of the equation rₒ+a (rₒ) =e^2/ (I-A). The link between microcosm and macrocosm is further shown by the relationship ₂₎₇₄ₑₒ^{2} between the cohesive energy ₂₎₇ and the surface tension. These relationships are illustrated for atoms and small jellium spheres.

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Cite This Study

John P. Perdew (1988) studied this question.

synapsesocial.com/papers/69d96aabc7f0c3ae80a3d6d2https://doi.org/10.1103/physrevb.37.6175
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