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Band structure of core-shell semiconductor nanowires

Pistol, Mats-Erik LU and Pryor, C. E. (2008) In Physical Review B (Condensed Matter and Materials Physics) 78(11).
Abstract
We have calculated band structures for strained core-shell nanowires involving all combinations of AlN, GaN, and InN, as well as all combinations of AlP, GaP, AlAs, GaAs, InP, InAs, AlSb, GaSb, and InSb, as functions of core and shell radii. This gives 78 combinations, most of which have not been experimentally realized, and provides a quite complete overview of which interesting structures can be realized in core-shell zinc-blende III-V nanowires. Both the Gamma-and the X-conduction-band minima were included in the calculations in addition to the valence-band maximum. The calculations were performed using continuum elasticity theory for the strain, eight-band strain-dependent k center dot p theory for the Gamma-point energies, and a... (More)
We have calculated band structures for strained core-shell nanowires involving all combinations of AlN, GaN, and InN, as well as all combinations of AlP, GaP, AlAs, GaAs, InP, InAs, AlSb, GaSb, and InSb, as functions of core and shell radii. This gives 78 combinations, most of which have not been experimentally realized, and provides a quite complete overview of which interesting structures can be realized in core-shell zinc-blende III-V nanowires. Both the Gamma-and the X-conduction-band minima were included in the calculations in addition to the valence-band maximum. The calculations were performed using continuum elasticity theory for the strain, eight-band strain-dependent k center dot p theory for the Gamma-point energies, and a single-band approximation for the X-point conduction minima. All combinations of materials having type-I, type-II, and type-III (broken gap) band alignments have been identified, as well as all combinations for which one material becomes metallic due to a negative band gap. We identify structures that may support exciton crystals, excitonic superconductivity, and biomolecular detection. We have also computed the effective masses from which the confinement energy may be estimated. While graphical presentation of the results helps identify trends, all the numerical results are also available online. (Less)
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author
organization
publishing date
type
Contribution to journal
publication status
published
subject
in
Physical Review B (Condensed Matter and Materials Physics)
volume
78
issue
11
publisher
American Physical Society
external identifiers
  • wos:000259690800074
  • scopus:53849088903
ISSN
1098-0121
DOI
10.1103/PhysRevB.78.115319
language
English
LU publication?
yes
id
e4a6aabe-2167-42d3-9834-e826e546ddb0 (old id 1286000)
date added to LUP
2009-02-04 10:12:03
date last changed
2017-04-09 04:01:33
@article{e4a6aabe-2167-42d3-9834-e826e546ddb0,
  abstract     = {We have calculated band structures for strained core-shell nanowires involving all combinations of AlN, GaN, and InN, as well as all combinations of AlP, GaP, AlAs, GaAs, InP, InAs, AlSb, GaSb, and InSb, as functions of core and shell radii. This gives 78 combinations, most of which have not been experimentally realized, and provides a quite complete overview of which interesting structures can be realized in core-shell zinc-blende III-V nanowires. Both the Gamma-and the X-conduction-band minima were included in the calculations in addition to the valence-band maximum. The calculations were performed using continuum elasticity theory for the strain, eight-band strain-dependent k center dot p theory for the Gamma-point energies, and a single-band approximation for the X-point conduction minima. All combinations of materials having type-I, type-II, and type-III (broken gap) band alignments have been identified, as well as all combinations for which one material becomes metallic due to a negative band gap. We identify structures that may support exciton crystals, excitonic superconductivity, and biomolecular detection. We have also computed the effective masses from which the confinement energy may be estimated. While graphical presentation of the results helps identify trends, all the numerical results are also available online.},
  articleno    = {115319},
  author       = {Pistol, Mats-Erik and Pryor, C. E.},
  issn         = {1098-0121},
  language     = {eng},
  number       = {11},
  publisher    = {American Physical Society},
  series       = {Physical Review B (Condensed Matter and Materials Physics)},
  title        = {Band structure of core-shell semiconductor nanowires},
  url          = {http://dx.doi.org/10.1103/PhysRevB.78.115319},
  volume       = {78},
  year         = {2008},
}