Structures and electronic states of Mg incorporated into InN surfaces: First-principles pseudopotential calculations

Toru Akiyama, Kohji Nakamura, Tomonori Ito, Jung Hwan Song, Arthur J. Freeman

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Structures and electronic states of Mg incorporated into InN surfaces in various orientations including nonpolar (10 1 0) and (11 2 0) as well as polar (0001) and (000 1) surfaces are systematically investigated by performing first-principles pseudopotential calculations. Employing a thermodynamic approach, the calculated surface energies demonstrate characteristic features in the stability of Mg-incorporated surfaces depending on the growth condition. The calculated density of states also predict that regardless of surface orientation, Mg acceptors at the surface are compensated by the extra electrons originating from the surface states of In layers in bare surfaces.

Original languageEnglish
Article number075316
JournalPhysical Review B - Condensed Matter and Materials Physics
Issue number7
Publication statusPublished - Aug 24 2009


ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

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