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Nature of bonding forces between two hydrogen-passivated silicon wafers

Authors
  • Stokbro, Kurt
  • Nielsen, E.
  • Hult, E.
  • Andersson, Y.
  • Lundqvist, B.I.
Publication Date
Jan 01, 1998
Source
Online Research Database In Technology
Keywords
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Unknown
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Abstract

The nature and strength of the bonding forces between two II-passivated Si surfaces are studied with the density-functional theory, using an approach based on recent theoretical advances in understanding of van der Waals forces between two surfaces. Contrary to previous suggestions of van der Waals attraction between H overlayers, we find that the attraction is mainly due to long-range van der Waals interactions between the Si substrates, while the equilibrium separation is determined by short-range repulsion between occupied Si-H orbitals. Estimated bonding energies and Si-H frequency shifts are in qualitative agreement with experiment. [S0163-1829(98)06448-0].

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