Stacking fault effects in Mg-doped GaN

T. M. Schmidt, R. H. Miwa, W. Orellana, H. Chacham

Research output: Contribution to journalArticlepeer-review

8 Citations (Scopus)

Abstract

First-principles total energy calculations are performed to investigate the interaction of a stacking fault with a p-type impurity in both zinc-blende and wurtzite GaN. For both structures we find that, in the presence of a stacking fault, the impurity level is a more localized state in the band gap. In zinc-blende GaN, the minimum energy position of the substitutional Mg atom is at the plane of the stacking fault. In contrast, in wurtzite GaN the substitutional Mg atom at the plane of the stacking fault is a local minimum and the global minimum is the substitutional Mg far from the fault. This behavior can be understood as a packing effect which induces a distinct strain relief process, since the local structure of the stacking fault in zinc-blende GaN is similar to fault-free wurtzite GaN and vice-versa.

Original languageEnglish
Article number033205
Pages (from-to)332051-332054
Number of pages4
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume65
Issue number3
Publication statusPublished - 15 Jan 2002

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

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