Solution of Ge(111)-(4 × 4)-Ag structure using direct methods applied to X-ray diffraction data

C. Collazo-Davila*, D. Grozea, L. D. Marks, R. Feidenhans'l, M. Nielsen, L. Seehofer, L. Lottermoser, G. Falkenberg, R. L. Johnson, M. Göthelid, U. Karlsson

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

22 Scopus citations

Abstract

A structure model for the Ge(111l)-(4 × 4)-Ag surface is proposed. The model was derived by applying direct methods to surface X-ray diffraction data. It is a missing top layer reconstruction with six Ag atoms placed on Ge substitutional sites in one triangular subunit of the surface unit cell. A ring-like assembly containing nine Ge atoms is found in the other triangular subunit. The stability of the ring assembly may be due to Ge-Ge double bond formation. Trimers of Ge atoms, similar to the trimers found on the Ge(111)-(√3 × √3)R30°-Ag surface, are placed in the corners of the unit cell.

Original languageEnglish (US)
Pages (from-to)395-406
Number of pages12
JournalSurface Science
Volume418
Issue number2
DOIs
StatePublished - Dec 5 1998

Keywords

  • Computer simulations
  • Direct methods
  • Ge(111)-(4 × 4)-Ag
  • Germanium
  • Silver
  • Surface relaxation and reconstruction
  • Transmission high-energy electron diffraction
  • X-ray scattering, diffraction and reflection

ASJC Scopus subject areas

  • Condensed Matter Physics
  • Surfaces and Interfaces
  • Surfaces, Coatings and Films
  • Materials Chemistry

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