Effect of edge threading dislocations on the electronic structure of InN
English
Kalesaki, Efterpi[University of Luxembourg > Faculty of Science, Technology and Communication (FSTC) > Physics and Materials Science Research Unit > ; Aristotle University of Thessaloniki > Department of Physics]
Kioseoglou, Joseph[Aristotle University of Thessaloniki > Department of Physics]
Lymperakis, Liverios[Max-Planck-Institut für Eisenforschung > Department of Computational Materials Design]
Komninou, Philomela[Aristotle University of Thessaloniki > Department of Physics]
[en] 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.
Aristotle University of Thessaloniki
European Commission - EC
DOTSENSE
Researchers ; Professionals ; Students ; General public ; Others
[University of Luxembourg > Faculty of Science, Technology and Communication (FSTC) > Physics and Materials Science Research Unit > ; Aristotle University of Thessaloniki > Department of Physics]
