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Journal of Electronic Materials

, Volume 48, Issue 10, pp 6654–6660 | Cite as

Influence of Surface Passivation on Indium Arsenide Nanowire Band Gap Energies

  • Pedram Razavi
  • James C. GreerEmail author
Article
  • 14 Downloads

Abstract

The interplay between surface chemistry and quantum confinement on the band gap energies of indium arsenide (InAs) nanowires is investigated by first principle computations as the surface-to-volume ratio increases with decreasing cross section. Electronic band structures are presented as determined by both density functional and hybrid density functional theory (DFT) calculations; the latter are used to provide improved band gap energy estimates over those from standard approximate DFT methods. Different monovalent chemical species with varying electron affinity are used to eliminate surface states to enable direct comparison between surface chemistry and quantum confinement. The influence of these effects on energy band gaps and electron effective masses is highlighted. It is found that many desirable properties in terms of electronic properties and the elimination of surface states for nanoscale field effect transistors fabricated using [100]-oriented InAs can be achieved.

Keywords

InAs GaAs nanowires electronic parameters density functional surface passivation quantum confinement 

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Notes

Acknowledgments

This work was supported by the European Union project DEEPEN funded under NMR-2013-1.4-1 Grant agreement number 604416. We also wish to acknowledge the SFI/HEA Irish Centre for High-End Computing (ICHEC) for the provision of computational facilities. JG acknowledges funding from the Nottingham Ningbo New Materials Institute.

Supplementary material

11664_2019_7476_MOESM1_ESM.pdf (436 kb)
Supplementary material 1 (PDF 436 kb)

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Copyright information

© The Minerals, Metals & Materials Society 2019

Authors and Affiliations

  1. 1.Tyndall National InstituteUniversity College CorkCorkIreland
  2. 2.University of Nottingham Ningbo New Materials Institute, Department of Electrical and Electronic EngineeringUniversity of Nottingham Ningbo ChinaNingboChina

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