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

Figure 2
Example of the axial-symmetric morphing shown with the members of the even series of regular hexagonal zb-NWire cross sections with a [11 $[\overline{2}]$ ] growth vector and two {111} interfaces at the top and bottom, plus four { $[\overline{1}]$ 31} side interfaces; see König & Smith (2021

) and Sections 3.4

and 4.2

for details. (a) Nominal shapes for run indices i = 1 (X₁₆), growing to i = 5 (X₃₂₀). From the nominal shape and any value of i (here for i = 5), lateral number series are introduced to morph the nominal cross section. (b) Two lateral run indices j₁ and j₂ are introduced to allow for independent morphing in the 〈111〉 direction from the top and bottom interfaces [(111) and ( $[\overline{1}]$ $[\overline{1}]$ $[\overline{1}]$ ), respectively], maintaining symmetry along the vertical axis; the nominal cross section occurs for j₁ = j₂ = 0, as shown by white `ghost atoms' for j > 0, and by the nominal (111) interface illustrated by yellow atoms for j < 0. (c) Morphing along three directions with run indices j = −2 [expansive morphing, shifting ( $[\overline{1}]$ $[\overline{1}]$ $[\overline{1}]$ ) interface], k₁ = 3 [reductive morphing, shifting (3 $[\overline{1}]$ 1) interface] and k₂ = −4 [expansive morphing, shifting ( $[\overline{1}]$ 31) interface].

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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