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Theory of the growth mode for a thin metallic film on an insulating substrate

  • David Fuks*
  • , Simon Dorfman
  • , Yuri F. Zhukovskii
  • , Eugene A. Kotomin
  • , A. Marshall Stoneham
  • *Corresponding author for this work
  • Ben-Gurion University of the Negev
  • Technion-Israel Institute of Technology
  • Northwestern University
  • University of Latvia
  • University College London
  • Max Planck Institute for Solid State Research

Research output: Contribution to journalArticlepeer-review

47 Citations (Scopus)

Abstract

We have developed a novel theory predicting the growth mode of a thin metallic film on an insulating substrate. This combines ab initio electronic structure calculations for several ordered metal/insulator interfaces (varying both coverage and substrate lattice constant), with a thermodynamic approach based on microscopic calculations. We illustrate this approach for Ag film deposited on MgO(0 0 1) substrate. Ab initio calculations predict high mobility of adsorbed silver atoms on the perfect magnesia surface even at low temperatures. Our theoretical analysis clearly demonstrates that the growth of metallic islands is predominant at the initial stage of silver deposition, which agrees with the experimental data.

Original languageEnglish
Pages (from-to)24-40
Number of pages17
JournalSurface Science
Volume499
Issue number1
DOIs
Publication statusPublished - 20 Feb 2002

Keywords

  • Ab initio quantum chemical methods and calculations
  • Coatings
  • Equilibrium thermodynamics and statistical mechanics
  • Growth
  • Magnesium oxides
  • Silver

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