Theory of field evaporation of the surface layer in jellium and other metals

Edward R. McMullen and John P. Perdew
Phys. Rev. B 36, 2598 – Published 15 August 1987
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Abstract

An intense, positive electric field applied normal to a metal surface can displace or even strip away the surface layer of atoms. These effects are studied for a jellium model (rs=4.20 a.u., surface layer thickness d=5.65 a.u.) via fully self-consistent calculations within the local-density approximation for exchange and correlation. From plots of surface energy versus displacement for several fields of interest, the critical field Fc required to evaporate the rigid surface layer is found (1.8 V/Å) and compared with the prediction (1.7 V/Å) of a simple semiempirical formula based upon universal binding-energy curves. The calculations also reveal information about electronic-charge redistribution, electronic resonances which develop with increasing separation of the surface layer from the bulk, and various components of the surface-layerbulk binding force. The jellium surface is compared with the real-metal surface Na(110) and with Al(111), which was investigated in earlier semi-self-consistent work.

  • Received 10 February 1987

DOI:https://doi.org/10.1103/PhysRevB.36.2598

©1987 American Physical Society

Authors & Affiliations

Edward R. McMullen and John P. Perdew

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

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Issue

Vol. 36, Iss. 5 — 15 August 1987

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