SnSi nanocrystals of zinc-blende structure in a Si matrix

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.