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Appl. Phys. Lett. 98, 072103 (2011); http://dx.doi.org/10.1063/1.3553772 (3 pages)

Effect of edge threading dislocations on the electronic structure of InN

E. Kalesaki1, J. Kioseoglou1, L. Lymperakis2, Ph. Komninou1, and Th. Karakostas1

1Department of Physics, Aristotle University of Thessaloniki, GR-54124 Thessaloniki, Greece
2Department of Computational Materials Design, Max-Planck-Institut für Eisenforschung, Max-Planck-Str. 1, 40237 Düsseldorf, Germany

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(Received 8 November 2010; accepted 19 January 2011; published online 15 February 2011)

The open issue of the n-type conductivity and its correlation to threading dislocations (TDs) in InN is addressed through first principles calculations on the electronic properties of a-edge TDs. All possible dislocation core models are considered (4-, 5/7-, and 8-atom cores) and are found to modify the band structure of InN in a distinct manner. In particular, nitrogen and indium low coordinated atoms in the eight-atom core induce states near the valence band maximum and above the conduction band minimum, respectively. The formation of a nitrogen–nitrogen “wrong” bond is observed at the 5/7-atom core resulting in a state inside the band gap. The 4- and 5/7-atom cores induce occupied states resonant in the conduction band due to In–In strain induced interactions and wrong bonds, respectively. These occupied states designate TDs as a source of higher electron concentrations in InN and provide direct evidence that TDs contribute to its inherent n-type conductivity.

© 2011 American Institute of Physics

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KEYWORDS and PACS

PACS

  • 71.55.Eq

    III-V semiconductors

  • 61.72.Lk

    Linear defects: dislocations, disclinations

  • 71.15.Mb

    Density functional theory, local density approximation, gradient and other corrections

  • 61.72.Hh

    Indirect evidence of dislocations and other defects (resistivity, slip, creep, strains, internal friction, EPR, NMR, etc.)

  • 71.20.Nr

    Semiconductor compounds

ARTICLE DATA

PUBLICATION DATA

ISSN

0003-6951 (print)  
1077-3118 (online)

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