Journal
APPLIED PHYSICS LETTERS
Volume 93, Issue 26, Pages -Publisher
AMER INST PHYSICS
DOI: 10.1063/1.3056656
Keywords
ab initio calculations; aluminium compounds; crystal structure; III-V semiconductors; indium compounds; nanostructured materials; phonon spectra; phonons; Raman spectra; X-ray diffraction
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Funding
- Swedish Research Council, VR [20055054]
- Linnaeus Grant, FCT Portugal
- Swedish foundation for strategic research
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The lattice parameters of InxAl1-xN in the whole compositional range are studied using first-principle calculations. Deviations from Vegard's rule are obtained via the bowing parameters, delta(a)=0.0412 +/- 0.0039 A and delta(c)=-0.060 +/- 0.010 A, which largely differ from previously reported values. Implications of the observed deviations from Vegard's rule on the In content extracted from x-ray diffraction are discussed. We also combine these results with x-ray diffraction and Raman scattering studies on InxAl1-xN nanocolumns with 0.627 <= x <= 1 and determine the E-2 phonon frequencies versus In composition in the scarcely studied In-rich compositional range.
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