SnSi nanocrystals of zinc-blende structure in a Si matrix
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A zinc-blende (sphalerite) crystallographic structure of SnSi nanocrystals generated by molecular-beam epitaxy is observed by electron microscopy techniques in a Si matrix. Ab initio density-functional modeling reveals a stabilizing effect of the Si matrix, which results in the lowest formation enthalpy of SnSi nanocrystals having the unexpected zinc-blende structure. Such nanocrystals could be applied in Si photonics to function as non-centrosymmetric media for the nonlinear optical process of second harmonic generation.
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SnSi nanocrystals of zinc-blende structure in a Si matrix
),
Abstract
A zinc-blende (sphalerite) crystallographic structure of SnSi nanocrystals generated by molecular-beam epitaxy is observed by electron microscopy techniques in a Si matrix. Ab initio density-functional modeling reveals a stabilizing effect of the Si matrix, which results in the lowest formation enthalpy of SnSi nanocrystals having the unexpected zinc-blende structure. Such nanocrystals could be applied in Si photonics to function as non-centrosymmetric media for the nonlinear optical process of second harmonic generation.
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Acknowledgements
Computational resources were provided by the Research Computing Center of the Moscow State University (MSU NIVC). The financial support of the BMBF (No. 03Z2HN12) and the Russian Foundation of Basic Researches (No. 15-32-20560) is gratefully acknowledged. A. Tonkikh is thankful to J. Schilling and A. Suvorova for fruitful discussions.
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