Patterns in strained-layer heteroepitaxy: Beyond the Frenkel-Kontorova model

Joshua D. Howe, Prateek Bhopale, Yogesh Tiwary, Kristen Ann Fichthorn

Research output: Contribution to journalArticlepeer-review

8 Scopus citations

Abstract

The second layer of Ag on Pt (111) is experimentally observed to form a striped dislocation pattern with Ag stripes alternating between fcc and hcp stacking. We address the origins of the stripes with a combination of density-functional theory and Monte Carlo simulations. We find that this dislocation pattern is driven by electronic and anisotropic substrate-mediated interactions associated with the Shockley surface state on Ag (111). Our simulations reveal the quantum mechanical underpinnings of strain-relief patterns, previously described phenomenologically by the classical Frenkel-Kontorova model that is widely used to describe such systems.

Original languageEnglish (US)
Article number121410
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume81
Issue number12
DOIs
StatePublished - Mar 15 2010

All Science Journal Classification (ASJC) codes

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

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