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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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 |
KEYWORDS and PACS
scandium compounds,
gallium compounds,
semiconductor thin films,
III-V semiconductors,
wide band gap semiconductors,
lattice constants,
ab initio calculations,
bond lengths,
bond angles,
stacking faults,
transmission electron microscopy
- 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, IIVI, IIIV and amorphous semiconductors - 68.37.Ef
Scanning tunneling microscopy of surfaces, interfaces and thin films including chemistry induced with STM - YEAR: 2005
RELATED DATABASES
PUBLICATION DATA
0021-8979 (print)
1089-7550 (online)
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