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Abstracts
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.
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Year
Volume
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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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Document Type
Publication order reference
Identifiers
YADDA identifier
bwmeta1.element.bwnjournal-article-appv119n528kz