First-principles calculation of the effect of strain on the diffusion of Ge adatoms on Si and Ge(001) surfaces

A. van de Walle, M. Asta, P. W. Voorhees

Research output: Contribution to journalArticlepeer-review

43 Scopus citations

Abstract

First-principles calculations are used to calculate the strain dependencies of the binding and diffusion-activation energies for Ge adatoms on both Si(001) and Ge(001) surfaces. Our calculations reveal that the binding and activation energies on a strained Ge(001) surface increase and decrease, respectively, by 0.21 and 0.12 eV per percent compressive strain. For a growth temperature of (formula presented) these strain-dependencies give rise to a 16-fold increase in adatom density and a fivefold decrease in adatom diffusivity in the region of compressive strain surrounding a Ge island with a characteristic size of 10 nm.

Original languageEnglish (US)
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume67
Issue number4
DOIs
StatePublished - Jan 31 2003

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

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