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Polytype Attainability in III-V Semiconductor Nanowires

Johansson, Jonas LU ; Zanolli, Zeila and Dick Thelander, Kimberly LU (2016) In Crystal Growth & Design 16(1). p.371-379
Abstract
We propose a model that explains the phenomenon of polytypism in metal particle-seeded III-V semiconductor nanowires. The model is based on classical nucleation theory, utilizing the axial next-nearest-neighbor Ising (ANNNI) model to account for interlayer interaction up to the third nearest-neighboring layer. We investigate the limits of polytypism by varying the ANNNI interaction parameters. These calculations lead to attainability diagrams, which show the regions in interaction energy space where certain polytypes can be attained given that the supersaturation is precisely tuned. We calculate the values of the ANNNI interaction parameters for six common III- V materials from first principles by means of the projector-augmented wave... (More)
We propose a model that explains the phenomenon of polytypism in metal particle-seeded III-V semiconductor nanowires. The model is based on classical nucleation theory, utilizing the axial next-nearest-neighbor Ising (ANNNI) model to account for interlayer interaction up to the third nearest-neighboring layer. We investigate the limits of polytypism by varying the ANNNI interaction parameters. These calculations lead to attainability diagrams, which show the regions in interaction energy space where certain polytypes can be attained given that the supersaturation is precisely tuned. We calculate the values of the ANNNI interaction parameters for six common III- V materials from first principles by means of the projector-augmented wave method. We discuss our calculated values in view of previous results. Using these calculated values in our nucleation model, our analysis suggests that besides the commonly observed 3C (zinc blende) and 2H (wurtzite) polytypes the higher order polytypes 4H and 6H can also be attained, in agreement with experimental observations. (Less)
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author
organization
publishing date
type
Contribution to journal
publication status
published
subject
in
Crystal Growth & Design
volume
16
issue
1
pages
371 - 379
publisher
The American Chemical Society
external identifiers
  • wos:000367963400041
  • scopus:84954048430
ISSN
1528-7483
DOI
10.1021/acs.cgd.5b01339
language
English
LU publication?
yes
id
be99b100-c18f-4a27-892a-3d503957f39c (old id 8747937)
date added to LUP
2016-02-23 10:18:08
date last changed
2017-11-05 03:19:02
@article{be99b100-c18f-4a27-892a-3d503957f39c,
  abstract     = {We propose a model that explains the phenomenon of polytypism in metal particle-seeded III-V semiconductor nanowires. The model is based on classical nucleation theory, utilizing the axial next-nearest-neighbor Ising (ANNNI) model to account for interlayer interaction up to the third nearest-neighboring layer. We investigate the limits of polytypism by varying the ANNNI interaction parameters. These calculations lead to attainability diagrams, which show the regions in interaction energy space where certain polytypes can be attained given that the supersaturation is precisely tuned. We calculate the values of the ANNNI interaction parameters for six common III- V materials from first principles by means of the projector-augmented wave method. We discuss our calculated values in view of previous results. Using these calculated values in our nucleation model, our analysis suggests that besides the commonly observed 3C (zinc blende) and 2H (wurtzite) polytypes the higher order polytypes 4H and 6H can also be attained, in agreement with experimental observations.},
  author       = {Johansson, Jonas and Zanolli, Zeila and Dick Thelander, Kimberly},
  issn         = {1528-7483},
  language     = {eng},
  number       = {1},
  pages        = {371--379},
  publisher    = {The American Chemical Society},
  series       = {Crystal Growth & Design},
  title        = {Polytype Attainability in III-V Semiconductor Nanowires},
  url          = {http://dx.doi.org/10.1021/acs.cgd.5b01339},
  volume       = {16},
  year         = {2016},
}