Stability of fcc (110) transition and noble metal surfaces

L. Vitos, B. Johansson, H. L. Skriver, J. Kollár

Research output: Contribution to journalArticle

3 Citations (Scopus)

Abstract

We have used density functional theory in conjunction with the full charge density linear muffin-tin orbitals method and a cluster expansion based on interatomic pair potentials to derive the energetics of vicinal surfaces on transition and noble metals, and we apply the results in a study of the stability of the fee (1 1 0) facet of these metals against the formation of 'rippled' surfaces consisting of vicinal facets with Miller indices (2λ + 1, 2λ + 1, 1) and (2λ + 1, 2λ + 1, 1).

Original languageEnglish
Pages (from-to)156-159
Number of pages4
JournalComputational Materials Science
Volume17
Issue number2-4
Publication statusPublished - Jun 1 2000

Keywords

  • Density functional calculation
  • Surface energy
  • Surface reconstruction
  • Vicinal surface

ASJC Scopus subject areas

  • Computer Science(all)
  • Chemistry(all)
  • Materials Science(all)
  • Mechanics of Materials
  • Physics and Astronomy(all)
  • Computational Mathematics

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  • Cite this

    Vitos, L., Johansson, B., Skriver, H. L., & Kollár, J. (2000). Stability of fcc (110) transition and noble metal surfaces. Computational Materials Science, 17(2-4), 156-159.