Ab-initio study of Mg-doped InN(0001) surface

A. Belabbes*, J. Furthmüller, F. Bechstedt

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

3 Scopus citations

Abstract

We study the incorporation of Mg atoms into the InN(0001) surface. Energies and atomic geometries are described within density functional theory, while the electronic structure is investigated by an approximate quasiparticle method that yields a gap value of 0.7 eV for bulk InN. The formation of substitutional Mg is energetically favored in the surface layer. The surface electronic structure is less influenced by Mg-derived states. The Fermi level is pinned by In-derived surface states. With increasing depth of Mg beneath the surface the Fermi-level position moves toward the valence band top, suggesting formation of holes and, hence, p-doping of Mg in bulk-like layers.

Original languageEnglish (US)
Article number012102
JournalAIP ADVANCES
Volume3
Issue number1
DOIs
StatePublished - Jan 2013

Bibliographical note

Funding Information:
We acknowledge financial support by the EU ITN RAINBOW (grant No. 2008-2133278) and the SFB 25 IR-ON of FFW (Austria).

ASJC Scopus subject areas

  • General Physics and Astronomy

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