Energetics of Surface Multilayer Relaxation on W (001): Evidence for Short-Range Screening

C. L. Fu, S. Ohnishi, E. Wimmer, Arthur J Freeman

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Abstract

Multilayer relaxation of the W (001) surface is explored by the all-electron local-density-functional total-energy approach. In agreement with recent experiments, we find a contraction of the topmost interlayer spacing by 5.7%. Surprisingly, the amount of this contraction is independent of the relaxation of the inner layers, which are predicted to be expanded by 2.4% and 1.2% for the second and third interlayer spacings, respectively. Thus, the driving mechanism for the relaxation process appears to be of a local nature because of short-range screening effects at the transition-metal surface.

Original languageEnglish
Pages (from-to)675-678
Number of pages4
JournalPhysical Review Letters
Volume53
Issue number7
DOIs
Publication statusPublished - 1984

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ASJC Scopus subject areas

  • Physics and Astronomy(all)

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