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Structural stability of clean GaAs nanowires grown along the [111] direction by Rita Magri; Marcello Rosini; Flavio Casetta is a Engineering article available to read on EtoBox.

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## Abstract Using a first‐principles approach we have calculated the formation energies of small diameter GaAs nanowires (NWs) with both zinc‐blende and wurtzite structure grown along the [111] direction. The section of the wires is hexagonal and the side facets are oriented either {11‐20} and {10‐10} in the case of the wurtzite structure, and {110} and {112} for the zinc‐blende structure. The formation energy of the nanowires as a function of their radius is then interpreted in terms of a model in which the energy contributions from the bulks, the flat surfaces and the ridges are taken explicitly into account. We find that the nanowire stability is mainly explained by the competition between the bulk energy, favoring the zincblende structure and the surface energies favoring the wurtzite structure. We find also that the directly calculated formation energies of some small diameter wurtzite NWs can be reproduced by our model taking into account only the bulk and flat surface contributions. That is, the ridges do not contribute substantially to the nanowire formation energy. Inspection of the ridge structure and band structure reveals that this good agreement occurs when the NWs are

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Author

Rita Magri; Marcello Rosini; Flavio Casetta

Publisher

John Wiley and Sons; Wiley (John Wiley & Sons); Wiley - V C H Verlag GmbbH & Co.; Wiley (ISSN 1862-6351)

Published

2010

Language

EN

Field

Engineering (Physical Sciences)