Structure and formation of H-induced (1 1 1) platelets in Si

  • Kim Y
  • Chang K
  • 1

    Readers

    Mendeley users who have this article in their library.
  • 1

    Citations

    Citations of this article.

Abstract

We investigate the energetics of various structures for H-induced (1 1 1) platelets in Si through first-principles pseudopotential calculations. The formation energies are calculated as a function of lattice dilation along the [1 1 1] direction. We find that a double-layer-H2* structure is most stable in the absence of lattice dilation, while as dilation increases, an H-saturated Si(1 1 1) internal surface structure ([2Si-H]n) is stabilized, accompanied with the generation of H2molecules. For the [2Si-H]nstructure with H2molecules in the void, calculated dilation length, internal pressure, and H-vibrational frequencies are in good agreements with experiments. © 2001 Elsevier Science B.V.

Author-supplied keywords

  • Hydrogen
  • Platelets
  • Silicon

Get free article suggestions today

Mendeley saves you time finding and organizing research

Sign up here
Already have an account ?Sign in

Find this document

Authors

  • Yong Sung Kim

  • K. J. Chang

Cite this document

Choose a citation style from the tabs below

Save time finding and organizing research with Mendeley

Sign up for free