Strain in semiconductor coreshell nanowires
(2009) In Applied Physics Reviews 106(5). Abstract
 We compute strain distributions in coreshell 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 forcefield (VFF) model has only few assumptions. But it is less computationally efficient than the finiteelement (FE) continuum elasticity model. The generic properties of the strain distributions in coreshell 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 coreshell nanowire structures. We find that the obtained... (More)
 We compute strain distributions in coreshell 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 forcefield (VFF) model has only few assumptions. But it is less computationally efficient than the finiteelement (FE) continuum elasticity model. The generic properties of the strain distributions in coreshell 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 coreshell 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 straincomponent, epsilon(ZZ). We also find that although the individual strain components have a complex structure, the hydrostatic strain shows a much simpler structure. All inplane strain components are of similar magnitude. The nonplanar offdiagonal 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)
Please use this url to cite or link to this publication:
http://lup.lub.lu.se/record/1490692
 author
 Grönqvist, Johan ^{LU} ; Søndergaard, Niels ^{LU} ; Boxberg, Fredrik ^{LU} ; Guhr, Thomas ^{LU} ; Åberg, Sven ^{LU} and Xu, Hongqi ^{LU}
 organization
 publishing date
 2009
 type
 Contribution to journal
 publication status
 published
 subject
 keywords
 tensile strength, nanowires, IIIV 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
 00218979
 DOI
 10.1063/1.3207838
 language
 English
 LU publication?
 yes
 id
 0f08db9e9747404db0b0954ad9b6e834 (old id 1490692)
 date added to LUP
 20091019 11:56:32
 date last changed
 20170924 03:33:39
@article{0f08db9e9747404db0b0954ad9b6e834, abstract = {We compute strain distributions in coreshell 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 forcefield (VFF) model has only few assumptions. But it is less computationally efficient than the finiteelement (FE) continuum elasticity model. The generic properties of the strain distributions in coreshell 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 coreshell 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 straincomponent, epsilon(ZZ). We also find that although the individual strain components have a complex structure, the hydrostatic strain shows a much simpler structure. All inplane strain components are of similar magnitude. The nonplanar offdiagonal 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 = {00218979}, keyword = {tensile strength,nanowires,IIIV 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 coreshell nanowires}, url = {http://dx.doi.org/10.1063/1.3207838}, volume = {106}, year = {2009}, }