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Band-Edge Diagrams of Core-Shell Semiconductor Dots

Pistol, Mats-Erik LU and Pryor, C. E. (2011) In Journal of Physical Chemistry C 115(22). p.10931-10939
Abstract
We have calculated band-edge diagrams for spherical core shell nanocrystal quantum dots for all combinations of AlN, GaN, and InN, as well as all combinations of AlP, GaP, AlAs, GaAs, InP, In As, AlSb, GaSb, and LnSb, as a function of core radius, with the outer radius of the shell held fixed. We have calculated the Gamma- and the X-conduction band minima, the valence band maximum, and the effective masses using strain-dependent eight-band kp theory, with a linear continuum model for the strain. We have found all the band alignments that may occur, and identified all combinations where one material becomes metallic due to a negative gap. Structures which are suitable for biological applications have been identified. We provide a figure... (More)
We have calculated band-edge diagrams for spherical core shell nanocrystal quantum dots for all combinations of AlN, GaN, and InN, as well as all combinations of AlP, GaP, AlAs, GaAs, InP, In As, AlSb, GaSb, and LnSb, as a function of core radius, with the outer radius of the shell held fixed. We have calculated the Gamma- and the X-conduction band minima, the valence band maximum, and the effective masses using strain-dependent eight-band kp theory, with a linear continuum model for the strain. We have found all the band alignments that may occur, and identified all combinations where one material becomes metallic due to a negative gap. Structures which are suitable for biological applications have been identified. We provide a figure which allows easy calculation of the confinement energy using a single band model. (Less)
Please use this url to cite or link to this publication:
author
organization
publishing date
type
Contribution to journal
publication status
published
subject
in
Journal of Physical Chemistry C
volume
115
issue
22
pages
10931 - 10939
publisher
The American Chemical Society
external identifiers
  • wos:000291079900001
  • scopus:79958700687
ISSN
1932-7447
DOI
10.1021/jp1094195
language
English
LU publication?
yes
id
8df2c566-ca44-484d-808c-7a14393e0df4 (old id 1985407)
date added to LUP
2011-07-06 13:58:41
date last changed
2017-09-03 03:04:47
@article{8df2c566-ca44-484d-808c-7a14393e0df4,
  abstract     = {We have calculated band-edge diagrams for spherical core shell nanocrystal quantum dots for all combinations of AlN, GaN, and InN, as well as all combinations of AlP, GaP, AlAs, GaAs, InP, In As, AlSb, GaSb, and LnSb, as a function of core radius, with the outer radius of the shell held fixed. We have calculated the Gamma- and the X-conduction band minima, the valence band maximum, and the effective masses using strain-dependent eight-band kp theory, with a linear continuum model for the strain. We have found all the band alignments that may occur, and identified all combinations where one material becomes metallic due to a negative gap. Structures which are suitable for biological applications have been identified. We provide a figure which allows easy calculation of the confinement energy using a single band model.},
  author       = {Pistol, Mats-Erik and Pryor, C. E.},
  issn         = {1932-7447},
  language     = {eng},
  number       = {22},
  pages        = {10931--10939},
  publisher    = {The American Chemical Society},
  series       = {Journal of Physical Chemistry C},
  title        = {Band-Edge Diagrams of Core-Shell Semiconductor Dots},
  url          = {http://dx.doi.org/10.1021/jp1094195},
  volume       = {115},
  year         = {2011},
}