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Core-shell nanowires made of Si and Ge can be grown experimentally withexcellent control for different sizes of both core and shell. We have studiedthe structural properties of Si/Ge and Ge/Si core-shell nanowires aligned alongthe $[110]$ direction, with diameters up to 10.2~nm and varying core to shellratios, using linear scaling Density Functional Theory (DFT). We show thatVegard's law, which is often used to predict the axial lattice constant, canlead to an error of up to 1\%, underlining the need for a detailed \emph{abinitio} atomistic treatment of the nanowire structure. We analyse the characterof the intrinsic strain distribution and show that, regardless of thecomposition or bond direction, the Si core or shell always expands. Incontrast, the strain patterns in the Ge shell or core are highly sensitive tothe location, composition and bond direction. The highest strains are found atheterojunction interfaces and the surfaces of the nanowires. This detailedunderstanding of the atomistic structure and strain paves the way for studiesof the electronic properties of core-shell nanowires and investigations ofdoping and structure defects.

Structural properties of Silicon-Germanium and Germanium-Silicon Core-Shell Nanowires