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Strain in semiconductor core-shell nanowires

Grönqvist, Johan LU ; Søndergaard, Niels LU ; Boxberg, Fredrik LU ; Guhr, Thomas LU ; Åberg, Sven LU and Xu, Hongqi LU (2009) In Applied Physics Reviews 106(5).
Abstract
We compute strain distributions in core-shell nanowires of zinc blende structure. We use both continuum elasticity theory and an atomistic model, and consider both finite and infinite wires. The atomistic valence force-field (VFF) model has only few assumptions. But it is less computationally efficient than the finite-element (FE) continuum elasticity model. The generic properties of the strain distributions in core-shell nanowires obtained based on the two models agree well. This agreement indicates that although the calculations based on the VFF model are computationally feasible in many cases, the continuum elasticity theory suffices to describe the strain distributions in large core-shell nanowire structures. We find that the obtained... (More)
We compute strain distributions in core-shell nanowires of zinc blende structure. We use both continuum elasticity theory and an atomistic model, and consider both finite and infinite wires. The atomistic valence force-field (VFF) model has only few assumptions. But it is less computationally efficient than the finite-element (FE) continuum elasticity model. The generic properties of the strain distributions in core-shell nanowires obtained based on the two models agree well. This agreement indicates that although the calculations based on the VFF model are computationally feasible in many cases, the continuum elasticity theory suffices to describe the strain distributions in large core-shell nanowire structures. We find that the obtained strain distributions for infinite wires are excellent approximations to the strain distributions in finite wires, except in the regions close to the ends. Thus, our most computationally efficient model, the FE continuum elasticity model developed for infinite wires, is sufficient, unless edge effects are important. We give a comprehensive discussion of strain profiles. We find that the hydrostatic strain in the core is dominated by the axial strain-component, epsilon(ZZ). We also find that although the individual strain components have a complex structure, the hydrostatic strain shows a much simpler structure. All in-plane strain components are of similar magnitude. The nonplanar off-diagonal strain components (epsilon(XZ) and epsilon(YZ)) are small but nonvanishing. Thus the material is not only stretched and compressed but also warped. The models used can be extended for the study of wurtzite nanowire structures, as well as nanowires with multiple shells. (Less)
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author
organization
publishing date
type
Contribution to journal
publication status
published
subject
keywords
tensile strength, nanowires, III-V semiconductors, arsenide, gallium, finite element analysis, elasticity, electronic structure
in
Applied Physics Reviews
volume
106
issue
5
publisher
American Institute of Physics
external identifiers
  • wos:000269850300028
  • scopus:70349321692
ISSN
0021-8979
DOI
10.1063/1.3207838
language
English
LU publication?
yes
id
0f08db9e-9747-404d-b0b0-954ad9b6e834 (old id 1490692)
date added to LUP
2009-10-19 11:56:32
date last changed
2017-09-24 03:33:39
@article{0f08db9e-9747-404d-b0b0-954ad9b6e834,
  abstract     = {We compute strain distributions in core-shell nanowires of zinc blende structure. We use both continuum elasticity theory and an atomistic model, and consider both finite and infinite wires. The atomistic valence force-field (VFF) model has only few assumptions. But it is less computationally efficient than the finite-element (FE) continuum elasticity model. The generic properties of the strain distributions in core-shell nanowires obtained based on the two models agree well. This agreement indicates that although the calculations based on the VFF model are computationally feasible in many cases, the continuum elasticity theory suffices to describe the strain distributions in large core-shell nanowire structures. We find that the obtained strain distributions for infinite wires are excellent approximations to the strain distributions in finite wires, except in the regions close to the ends. Thus, our most computationally efficient model, the FE continuum elasticity model developed for infinite wires, is sufficient, unless edge effects are important. We give a comprehensive discussion of strain profiles. We find that the hydrostatic strain in the core is dominated by the axial strain-component, epsilon(ZZ). We also find that although the individual strain components have a complex structure, the hydrostatic strain shows a much simpler structure. All in-plane strain components are of similar magnitude. The nonplanar off-diagonal strain components (epsilon(XZ) and epsilon(YZ)) are small but nonvanishing. Thus the material is not only stretched and compressed but also warped. The models used can be extended for the study of wurtzite nanowire structures, as well as nanowires with multiple shells.},
  articleno    = {053508},
  author       = {Grönqvist, Johan and Søndergaard, Niels and Boxberg, Fredrik and Guhr, Thomas and Åberg, Sven and Xu, Hongqi},
  issn         = {0021-8979},
  keyword      = {tensile strength,nanowires,III-V semiconductors,arsenide,gallium,finite element analysis,elasticity,electronic structure},
  language     = {eng},
  number       = {5},
  publisher    = {American Institute of Physics},
  series       = {Applied Physics Reviews},
  title        = {Strain in semiconductor core-shell nanowires},
  url          = {http://dx.doi.org/10.1063/1.3207838},
  volume       = {106},
  year         = {2009},
}