Atomic structure of screw dislocations intersecting the Au(111) surface: A combined scanning tunneling microscopy and molecular dynamics study

Jakob Engbæk, Jakob Schiøtz, Bjarke Dahl-Madsen, Sebastian Horch

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Abstract

The atomic-scale structure of naturally occurring screw dislocations intersecting a Au(111) surface has been investigated both experimentally by scanning tunneling microscopy (STM) and theoretically using molecular dynamics (MD) simulations. The step profiles of 166 dislocations were measured using STM. Many of them exhibit noninteger step-height plateaus with different widths. Clear evidence was found for the existence of two different populations at the surface with distinct (narrowed or widened) partial-splitting widths. All findings are fully confirmed by the MD simulations. The MD simulations extend the STM-, i.e., surface-, investigation to the subsurface region. Due to this additional insight, we can explain the different partial-splitting widths as the result of the interaction between the partial dislocations and the surface.
Original languageEnglish
JournalPhysical Review B Condensed Matter
Volume74
Issue number19
Pages (from-to)195434
ISSN0163-1829
DOIs
Publication statusPublished - 2006

Bibliographical note

Copyright 2006 American Physical Society

Keywords

  • METAL
  • NUCLEATION
  • SCALE
  • STACKING-FAULT ENERGIES
  • GOLD
  • INTERFACES
  • ELECTRON-MICROSCOPY
  • STM

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