Summary
In this work, we study the effect of the relaxation of the atomic positions and the lattice parameter of mixed Ga1-xInxAs systems on the electron atomic scattering amplitudes (ASA). The ASAs are shown to vary strongly with lattice parameter. The resulting relationship between ASA and lattice parameter is then used in a finite temperature, zero pressure Monte Carlo relaxation of the mixed crystal. The consequence of the use of this modified atomic scattering amplitude (MASA) for the calculation of the 002 structure factor of ternary (Ga1-xInxAs ) and quaternary (Ga1-xInxAs1-yNy) semiconductors is a reduction of the structure factor, leading to an increase in the In concentration at which the structure factor vanishes. This method directly includes the effect of temperature on the ASA and on the structure factors and, therefore, does not require an explicit knowledge of the Debye-Waller factor.
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Titantah, T.J., Lamoen, D., Schowalter, M., Rosenauer, A. (2008). Effect of Temperature on the 002 Electron Structure Factor and its Consequence for the Quantification of Ternary and Quaternary III–V Crystals. In: Cullis, A.G., Midgley, P.A. (eds) Microscopy of Semiconducting Materials 2007. Springer Proceedings in Physics, vol 120. Springer, Dordrecht. https://doi.org/10.1007/978-1-4020-8615-1_41
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DOI: https://doi.org/10.1007/978-1-4020-8615-1_41
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