Beyond the Local-Density Approximation: Surface Properties of (110) W

John R. Smith
Phys. Rev. Lett. 25, 1023 – Published 12 October 1970
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Abstract

A basic calculation of the work function and a surface potential of a single-crystal plane is presented. This first theory provides quantitative results for W(110). Smoluchowski's model is used to determine an effective surface pseudopotential, and many-electron effects are included self-consistently and beyond the local-density approximation through a gradient-expansion formalism. Some limitations of the local-density approximation are revealed. Another explanation for the experimental work-function anomaly is offered.

  • Received 27 August 1970

DOI:https://doi.org/10.1103/PhysRevLett.25.1023

©1970 American Physical Society

Authors & Affiliations

John R. Smith

  • National Aeronautics and Space Administration, Lewis Research Center, Cleveland, Ohio 44135

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Issue

Vol. 25, Iss. 15 — 12 October 1970

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