e-Journal of Surface Science and Nanotechnology
Online ISSN : 1348-0391
ISSN-L : 1348-0391
Conference -ACSIN-12&ICSPM21-
Doping Effects on Polytypism in Semiconductor Nanowires: A First-Principles Study
Toru AkiyamaTomoki YamashitaKohji NakamuraTomonori Ito
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2014 Volume 12 Pages 18-22

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Abstract
The effects of dopants on the crystal structure of InP and GaAs NWs are theoretically investigated by means of density functional calculations. The calculated energy differences among various crystal structures with substitutional Zn (C) atoms in InP (GaAs) are found to be similar to those of bulk phase. This indicates that the contribution of dopants to the energy difference among different crystal structures in NWs is negligible. Furthermore, we reveal that the difference in the step-edge formation energy between zinc blende and wurtzite structures with dopants is similar to that without dopant within 0.01 eV/Å. These results thus imply that the role of dopants for the supersaturaion of nanowire formation is crucial to determine the crystal structure of NWs. [DOI: 10.1380/ejssnt.2014.18]
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この記事はクリエイティブ・コモンズ [表示 4.0 国際]ライセンスの下に提供されています。
https://creativecommons.org/licenses/by/4.0/deed.ja
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