Metal surface energy: Persistent cancellation of short-range correlation effects beyond the random phase approximation

J. M. Pitarke and J. P. Perdew
Phys. Rev. B 67, 045101 – Published 6 January 2003
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Abstract

The role that nonlocal short-range correlation plays at metal surfaces is investigated by analyzing the correlation surface-energy into contributions from dynamical density fluctuations of various two-dimensional wave vectors. Although short-range correlation is known to yield considerable correction to the ground-state energy of both uniform and nonuniform systems, short-range correlation effects on intermediate and short-wavelength contributions to the surface formation energy are found to compensate one another. As a result, our calculated surface energies, which are based on a nonlocal exchange-correlation kernel that provides accurate total energies of a uniform electron gas, are found to be very close to those obtained in the random-phase approximation, and support the conclusion that the error introduced by the local-density approximation is small.

  • Received 23 August 2002

DOI:https://doi.org/10.1103/PhysRevB.67.045101

©2003 American Physical Society

Authors & Affiliations

J. M. Pitarke1,2 and J. P. Perdew3

  • 1Materia Kondentsatuaren Fisika Saila, Zientzi Fakultatea, Euskal Herriko Unibertsitatea, 644 Posta Kutxatila, E-48080 Bilbo, Basque Country, Spain
  • 2Donostia International Physics Center (DIPC) and Centro Mixto CSIC-UPV/EHU, Donostia, Basque Country, Spain
  • 3Department of Physics and Quantum Theory Group, Tulane University, New Orleans, Louisiana 70118

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Vol. 67, Iss. 4 — 15 January 2003

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