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Composition-dependent structural properties in ScGaN alloy films: A combined experimental and theoretical study

J. Appl. Phys. 98, 123501 (2005); doi:10.1063/1.2140889

Published 16 December 2005

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Costel Constantin, Muhammad B. Haider, David Ingram, and Arthur R. Smith
Condensed Matter and Surface Science Program, Department of Physics and Astronomy, Ohio University, Athens, Ohio 45701

Nancy Sandler
Condensed Matter and Surface Science Program, Department of Physics and Astronomy, Ohio University, Athens, Ohio 45701 and Institut de Ciència de Materials de Barcelona-CSIC, Campus UAB, Barcelona, 08193 Spain

Kai Sun
Electron Microbeam Analysis Laboratory, University of Michigan, Ann Arbor, Michigan 48109-2143

Pablo Ordejón
Institut de Ciència de Materials de Barcelona-CSIC, Campus UAB, Barcelona, 08193 Spain
Experimental and theoretical results are presented regarding the incorporation of scandium into wurtzite GaN. Variation of the a and c lattice constants with Sc fraction in the low Sc concentration regime (0%–17%) are found that can be well explained by the predictions of first-principles theory. The calculations allow a statistical analysis of the variations of the bond lengths and bond angles as functions of Sc concentration. The results are compared to predictions from both a prior experimental study [Constantin et al., Phys. Rev. B 70, 193309 (2004)] and a prior theoretical study [Farrer and Bellaiche et al. Phys. Rev. B 66, 201203(R) (2002)]. It is found that the ScGaN lattice can be very well modeled as being wurtzitelike but with local lattice distortions arising from the incorporation of the Sc atoms. Effects of the addition of Sc on the stacking order for a large Sc fraction is also studied by high resolution transmission electron microscopy. The results show the existence of stacking faults, and induced stacking disorder. The explanation for the lattice constant variations is based on the effects of local lattice distortions and not related to the stacking faults. ©2005 American Institute of Physics
History: Received 3 August 2005; accepted 2 November 2005; published 16 December 2005
Permalink: http://link.aip.org/link/?JAPIAU/98/123501/1
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KEYWORDS and PACS

Keywords
PACS
  • 05.70.Fh
    Phase transitions: general studies
  • 81.15.Hi
    Molecular, atomic, ion, and chemical beam epitaxy
  • 81.05.Bx
    Metals, semimetals, and alloys: fabrication, treatment, testing and analysis
  • 81.05.Hd
    Other semiconductors: fabrication, treatment, testing and analysis excluding elemental, II–VI, III–V and amorphous semiconductors
  • 68.37.Ef
    Scanning tunneling microscopy of surfaces, interfaces and thin films including chemistry induced with STM
  • YEAR: 2005

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ISSN:
0021-8979 (print)   1089-7550 (online)
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