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Twisted-shape selection of self-assembled Si 〈100〉 nanobelts and nanowires

Danesh, V ; Sharif University of Technology | 2021

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  1. Type of Document: Article
  2. DOI: 10.1088/1361-6463/abf227
  3. Publisher: IOP Publishing Ltd , 2021
  4. Abstract:
  5. This letter discusses the surface-reconstruction-induced self-twisting behavior of Si100 nanobelts and nanowires (NWs) with rectangular cross section. Giving a thorough physical interpretation, we explain the reason behind this phenomenon and present a continuum-based model. It is revealed that these structures can self-assemble into both right- and left-handed helicoids depending on their crystal arrangements. More specifically, for NWs with the same number of layers in each of their cross sections directions, two distinct values of torsion angle are possible for each of right- and left-handed twisted morphologies. In conclusion, four modes of torsion can be observed in Si100 NWs. Furthermore, some atomistic simulations are conducted to substantiate analytical results by utilizing Tersoff's potential. These results confirm the precision of the analytical discussions and are in good agreement with the continuum model predictions. Finally, the results of Tersoff's potential are validated by a density functional based tight-binding model. © 2021 IOP Publishing Ltd
  6. Keywords:
  7. Continuum mechanics ; Nanowires ; Silicon ; Torsional stress ; Analytical results ; Atomistic simulations ; Continuum based modeling ; Continuum model prediction ; Density-functional-based tight-binding models ; Number of layers ; Physical interpretation ; Rectangular cross-sections ; Nanobelts
  8. Source: Journal of Physics D: Applied Physics ; Volume 54, Issue 25 , 2021 ; 00223727 (ISSN)
  9. URL: https://iopscience.iop.org/article/10.1088/1361-6463/abf227