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2011 | 119 | 5 | 666-668
Article title

Structural and Elastic Properties of Wurtzite Al-Rich In_{x}Al_{1 - x}N Alloys

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Languages of publication
EN
Abstracts
EN
We present theoretical study of lattice parameters and elastic constants of wurtzite Al-rich In_{x}Al_{1 - x}N (x = 0.125, 0.1875 and 0.25) alloys using self-consistent ab initio calculations with a supercell model. Two different atomic arrangements have been considered for a given x, by either distributing the In atoms as uniformly as possible over the supercell or by clustering the In atoms together in a small part of the supercell. Our calculations reveal that the a and c lattice parameters show almost linear dependence on composition for the alloys with uniform distribution of In atoms, while for the case of alloys with clustered In atoms the c lattice parameter deviates from linearity quite significantly. For the alloys with clustered In atoms, we observe that the values of C_{11}, C_{12}, and C_{44} elastic constants are significantly smaller than the linear interpolated values between the elastic constants of AlN and InN, and the values of C_{33} elastic constant are significantly larger than the corresponding interpolated values. For the alloys with uniform distribution of In atoms, only C_{11} elastic constant deviates significantly from linear dependence on composition.
Keywords
EN
Publisher

Year
Volume
119
Issue
5
Pages
666-668
Physical description
Dates
published
2011-05
Contributors
author
  • Institute of High Pressure Physics - Unipress, Polish Academy of Sciences, Sokołowska 29, 01-142 Warszawa, Poland
author
  • Institute of High Pressure Physics - Unipress, Polish Academy of Sciences, Sokołowska 29, 01-142 Warszawa, Poland
References
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  • 3. I. Gorczyca, S.P. Łepkowski, T. Suski, N.E. Christensen, A. Svane, Phys. Rev. B 80, 075202 (2009)
  • 4. S.P. Łepkowski, J.A. Majewski, G. Jurczak, Phys. Rev. B 72, 245201 (2005)
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  • 6. M. Ferhat, F. Bechstedt, Phys. Rev. B 65, 075213 (2002)
Document Type
Publication order reference
Identifiers
YADDA identifier
bwmeta1.element.bwnjournal-article-appv119n528kz
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