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


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
Issue number1
StatePublished - Jan 2013

ASJC Scopus subject areas

  • Physics and Astronomy(all)


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