Atomic scale morphology, growth behaviour and electronic properties of semipolar {101[overline]3} GaN surfaces

J Phys Condens Matter. 2013 Jan 30;25(4):045008. doi: 10.1088/0953-8984/25/4/045008. Epub 2012 Dec 17.

Abstract

First-principles calculations relating to the atomic structure and electronic properties of {101[overline]3} GaN surfaces reveal significant differentiations between the two polarity orientations. The (101[overline]3) surface exhibits a remarkable morphological stability, stabilizing a metallic structure (Ga adlayer) over the entire range of the Ga chemical potential. In contrast, the semiconducting, cleaved surface is favoured on (101[overline]3[overline]) under extremely and moderately N-rich conditions, a Ga bilayer is stabilized under corresponding Ga-rich conditions and various transitions between metallic reconstructions take place in intermediate growth stoichiometries. Efficient growth schemes for smooth, two-dimensional GaN layers and the isolation of {101[overline]3} material from parasitic orientations are identified.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Biosensing Techniques*
  • Electronics
  • Gallium / chemistry*
  • Kinetics
  • Metals / chemistry
  • Molecular Conformation
  • Nitrogen / chemistry
  • Physics / methods*
  • Semiconductors
  • Surface Properties
  • Thermodynamics

Substances

  • Metals
  • gallium nitride
  • Gallium
  • Nitrogen