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Original Paper
Core models of a-edge threading dislocations in wurtzite III(Al,Ga,In)-nitrides
Article first published online: 17 JUL 2009
DOI: 10.1002/pssa.200881435
Copyright © 2009 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim
Issue
physica status solidi (a)
Special Issue: High Resolution X-Ray Diffraction and Imaging (XTOP)
Volume 206, Issue 8, pages 1931–1935, August 2009
Additional Information
How to Cite
Kioseoglou, J., Komninou, P. and Karakostas, T. (2009), Core models of a-edge threading dislocations in wurtzite III(Al,Ga,In)-nitrides. physica status solidi (a), 206: 1931–1935. doi: 10.1002/pssa.200881435
Publication History
- Issue published online: 27 JUL 2009
- Article first published online: 17 JUL 2009
- Manuscript Accepted: 29 MAY 2009
- Manuscript Revised: 28 APR 2009
- Manuscript Received: 17 SEP 2008
Funded by
- EC (PARSEM). Grant Number: MRTN-CT-2004-005583
- FP7 STREP Project DOTSENSE. Grant Number: FP7–IST-224212
- Abstract
- Article
- References
- Cited By
Keywords:
- 61.72.Lk;
- 71.55.Eq
Abstract
An empirical bond-order many body interatomic Tersoff potential is used for atomistic calculations of the multiple atomic configurations (5/7, 8 and 4) of the a-edge threading dislocations in III(Al,Ga,In)-N compound semiconductors. Structural- and energy-related conclusions are drawn which are attributed to the complexity of the III–III metal type and N–N interactions (bondGa–Ga < bondAl–Al < bondIn–In) in connection with the difference of the lattice parameters (aAlN < aGaN < aInN) and the elastic constants. The 5/7-atomic core configuration is calculated as the most energetically and structurally favourable in all the three compounds. Taking the 5/7-atom model as a reference, the 8-atom core model becomes the next favourable one when the lattice parameter increases (aInN) while the 4-atom core model is the second energetically favourable when the lattice parameter decreases (aAlN).