Lattice parameters, deviations from Vegard's rule, and E2 phonons in InAlN

被引：48
作者：
Darakchieva, V. [1 ,2 ]
Xie, M. -Y. [2 ]
Tasnadi, F. [2 ]
Abrikosov, I. A. [2 ]
Hultman, L. [2 ]
Monemar, B. [2 ]
Kamimura, J. [3 ]
Kishino, K. [4 ]
机构：
[1] Inst Technol & Nucl, P-2686953 Sacavem, Portugal
[2] Linkoping Univ, IFM, SE-58183 Linkoping, Sweden
[3] Sophia Univ, Dept Engn & Appl Sci, Tokyo 1028554, Japan
[4] Japan Sci & Technol Agcy, CREST, Tokyo, Japan
来源：
APPLIED PHYSICS LETTERS | 2008年 / 93卷 / 26期
基金：
瑞典研究理事会;
关键词：
ab initio calculations; aluminium compounds; crystal structure; III-V semiconductors; indium compounds; nanostructured materials; phonon spectra; phonons; Raman spectra; X-ray diffraction;
D O I：
10.1063/1.3056656
中图分类号：
O59 [应用物理学];
学科分类号：
摘要：
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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页数：3
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