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

• Authors: S. Łepkowski , I. Gorczyca
• 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

62.20.de

Discipline

• 62.20.de: Elastic moduli

• Journal: Acta Physica Polonica A
• Year: 2011
• Volume: 119
• Issue: 5
• Pages: 666-668

Dates

published

2011-05

Contributors

author

S. Łepkowski

• Institute of High Pressure Physics - Unipress, Polish Academy of Sciences, Sokołowska 29, 01-142 Warszawa, Poland

author

I. Gorczyca

• Institute of High Pressure Physics - Unipress, Polish Academy of Sciences, Sokołowska 29, 01-142 Warszawa, Poland

References

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Identifiers

DOI

10.12693/APhysPolA.119.666