Structure and Stability of Si(114)-(2 x 1)

Abstract

We describe a recently discovered stable planar surface of silicon Si(114) This high-index surface, oriented 19.5 degrees away from (001) toward (111), undergoes a 2 x 1 reconstruction. We propose a complete model for the reconstructed surface based on scanning tunneling microscopy images and first-principles total-energy calculations. The structure and stability of Si(114)-(2 x 1) arises from a balance between surface dangling bond reduction and surface stress relief, and provides a key to understanding the morphology of a family of surfaces oriented between (001) and (114).

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Document Details

Document Type
Technical Report
Publication Date
Jul 22, 1996
Accession Number
ADA483139

Entities

People

  • A. A. Baski
  • Lloyd J. Whitman
  • S. C. Erwin

Organizations

  • United States Naval Research Laboratory

Tags

Communities of Interest

  • Advanced Electronics
  • Energy and Power Technologies

DTIC Thesaurus Topics

  • Buckling
  • Cells
  • Crystal Lattices
  • Electronic Structure Methods
  • Energy
  • Fermi Levels
  • First Principles Calculations
  • Geometry
  • Materials
  • Materials Science
  • Military Research
  • Orientation (Direction)
  • Periodic Variations
  • Stresses
  • Surface Energy
  • Tetramers
  • Thin Films

Fields of Study

  • Physics

Readers

  • Computational Modeling and Simulation
  • Thin Film Deposition Science.