American Institute of Physics, The Journal of Chemical Physics, 21(140), p. 214705
DOI: 10.1063/1.4880756
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Starting from experimental findings and interface growth problems in Si/Ge superlattices, we have investigated through ab initio methods the concurrent and competitive behavior of strain and defects in the second-harmonic generation process. Interpreting the second-harmonic intensities as a function of the different nature and percentage of defects together with the strain induced at the interface between Si and Ge, we found a way to tune and enhance the second-harmonic generation response of these systems. (C) 2014 AIP Publishing LLC.