Analytic description of nanowires II: morphing of regular cross sections for zincblende- and diamond-structures to match arbitrary shapes

König, D.; Smith, S.C.

doi:10.1107/S2052520622004942

Acta Crystallographica Section B
Acta Crystallographica
Section B STRUCTURAL SCIENCE, CRYSTAL ENGINEERING AND MATERIALS

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Figure 4
Cross section of the zb-/diamond-structure NWires growing along the [110] axis with a rectangular cross section and two {001} interfaces at the top and bottom, and two {110} interfaces at the sides, for run index i = 3, showing (a) expansive morphing with morphing index j = −6 and (b) reductive morphing with j = 2. Yellow atoms show the outer limit of the nominal cross section (i = 3 and j = 0) in part (a), white atoms in part (b) present `ghost atoms' to fill up the nominal cross section. Interior atoms are grey, atoms with one interface bond are red, atoms with two interface bonds are blue and atoms with three interface bonds are green. Due to two different interface orientations, j > 0 is useful to calculate expansive morphing in the horizontal direction (i.e. parallel to the {001} interfaces) by picking an appropriate i to match $[d_{\rm{001-IF}}^{110-\tallrectangle}[i]]$ and then reducing the vertical extension by j > 0.

STRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS

ISSN: 2052-5206

Volume 78| Part 4| August 2022| Pages 643-664

https://doi.org/10.1107/S2052520622004942

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