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Simulation of GaAs Nanowire Growth and Crystal Structure

Martensson, Erik K. LU ; Lehmann, Sebastian LU ; Dick, Kimberly A. LU and Johansson, Jonas LU (2019) In Nano Letters
Abstract

Growing GaAs nanowires with well-defined crystal structures is a challenging task, but may be required for the fabrication of future devices. In terms of crystal phase selection, the connection between theory and experiment is limited, leaving experimentalists with a trial and error approach to achieve the desired crystal structures. In this work, we present a modeling approach designed to provide the missing connection, combining classical nucleation theory, stochastic simulation, and mass transport through the seed particle. The main input parameters for the model are the flows of the growth species and the temperature of the process, giving the simulations the same flexibility as experimental growth. The output of the model can also... (More)

Growing GaAs nanowires with well-defined crystal structures is a challenging task, but may be required for the fabrication of future devices. In terms of crystal phase selection, the connection between theory and experiment is limited, leaving experimentalists with a trial and error approach to achieve the desired crystal structures. In this work, we present a modeling approach designed to provide the missing connection, combining classical nucleation theory, stochastic simulation, and mass transport through the seed particle. The main input parameters for the model are the flows of the growth species and the temperature of the process, giving the simulations the same flexibility as experimental growth. The output of the model can also be directly compared to experimental observables, such as crystal structure of each bilayer throughout the length of the nanowire and the composition of the seed particle. The model thus enables for observed experimental trends to be directly explored theoretically. Here, we use the model to simulate nanowire growth with varying As flows, and our results match experimental trends with a good agreement. By analyzing the data from our simulation, we find theoretical explanations for these experimental results, providing new insights into how the crystal structure is affected by the experimental parameters available for growth.

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Please use this url to cite or link to this publication:
author
organization
publishing date
type
Contribution to journal
publication status
epub
subject
keywords
GaAs, nanowire, simulation, Wurtzite, zinc blende
in
Nano Letters
publisher
The American Chemical Society
external identifiers
  • scopus:85060051884
ISSN
1530-6984
DOI
10.1021/acs.nanolett.8b04637
language
English
LU publication?
yes
id
dd0a9fac-de40-41e2-a906-38c12329fab9
date added to LUP
2019-01-30 09:30:17
date last changed
2019-02-20 11:45:27
@article{dd0a9fac-de40-41e2-a906-38c12329fab9,
  abstract     = {<p>Growing GaAs nanowires with well-defined crystal structures is a challenging task, but may be required for the fabrication of future devices. In terms of crystal phase selection, the connection between theory and experiment is limited, leaving experimentalists with a trial and error approach to achieve the desired crystal structures. In this work, we present a modeling approach designed to provide the missing connection, combining classical nucleation theory, stochastic simulation, and mass transport through the seed particle. The main input parameters for the model are the flows of the growth species and the temperature of the process, giving the simulations the same flexibility as experimental growth. The output of the model can also be directly compared to experimental observables, such as crystal structure of each bilayer throughout the length of the nanowire and the composition of the seed particle. The model thus enables for observed experimental trends to be directly explored theoretically. Here, we use the model to simulate nanowire growth with varying As flows, and our results match experimental trends with a good agreement. By analyzing the data from our simulation, we find theoretical explanations for these experimental results, providing new insights into how the crystal structure is affected by the experimental parameters available for growth.</p>},
  author       = {Martensson, Erik K. and Lehmann, Sebastian and Dick, Kimberly A. and Johansson, Jonas},
  issn         = {1530-6984},
  keyword      = {GaAs,nanowire,simulation,Wurtzite,zinc blende},
  language     = {eng},
  month        = {01},
  publisher    = {The American Chemical Society},
  series       = {Nano Letters},
  title        = {Simulation of GaAs Nanowire Growth and Crystal Structure},
  url          = {http://dx.doi.org/10.1021/acs.nanolett.8b04637},
  year         = {2019},
}