Polarization and band offsets of stacking faults in AlN and GaN


J. A. Majewski, P. Vogl
Walter Schottky Institut, Technische Universität München

This article was received on Saturday, July 25, 1998 and accepted on Tuesday, September 15, 1998.

Abstract

We have performed systematic first-principles pseudopotential local density functional calculations of stacking faults in GaN and AlN. Their band offsets and the charge accumulation at stacking fault interfaces has been investigated, taking fully into account the effects of lattice relaxation and electric polarization. We find the stacking fault junctions to be of type I in both materials. However, the intrinsic valence band offsets are close to zero, so that the conduction band offsets result mostly from the differences in the energy gaps between the cubic and wurtzite phases. The charge accumulated at the interface between the cubic and wurtzite phase is found to be 0.009 and 0.003 C/m2 for the AlN and GaN stacking fault, respectively.

Outline

  • Introduction
  • Stacking faults - geometry and polarization
  • Valence band offsets and interface charges
  • Method and computational details
  • Results
  • Conclusions
  • Acknowledgments
  • Linked Pages

    Cite this article as: MRS Internet J. Nitride Semicond. Res. 3, 21(1998).

    last updated Thursday, September 17, 1998 2:53:34 PM.

    © 1998 The Materials Research Society MRS Internet Journal of Nitride Semiconductor Research
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