Band-Edge Diagrams of Core-Shell Semiconductor Dots
(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:
https://lup.lub.lu.se/record/1985407
- author
- Pistol, Mats-Erik LU and Pryor, C. E.
- organization
- publishing date
- 2011
- 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 (ACS)
- 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
- 2016-04-01 09:57:42
- date last changed
- 2023-08-30 14:23:20
@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 (ACS)}},
series = {{Journal of Physical Chemistry C}},
title = {{Band-Edge Diagrams of Core-Shell Semiconductor Dots}},
url = {{http://dx.doi.org/10.1021/jp1094195}},
doi = {{10.1021/jp1094195}},
volume = {{115}},
year = {{2011}},
}