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Electronic structure of nanometer-sized semiconductor crystals

Persson, Martin LU and Xu, Hongqi LU (2002) Proceedings of 7th International Conference on Nanometer-Scale Science and Technology and 21st European Conference on Surface Science (NANO-7/ECOSS-21)
Abstract
We report on a theoretical study of the electronic structure of semiconductor nanocrystals, based on a tight-binding method. Both one- and zero-dimensional structures have been studied. Concerning the one-dimensional structures, the effect of the confinement on the band structure of nanowires has been studied. We find that a transition from direct to indirect band gap occurs in the band structure as the size of the wire becomes smaller than a critical size. The effect is particularly prominent in the GaAs material. In the case of the zero-dimensional nanocrystals we have studied the effect of the confinement on the electronic structure of silicon. We show that the six-fold degenerate conduction band minima of the Si bulk crystal split into... (More)
We report on a theoretical study of the electronic structure of semiconductor nanocrystals, based on a tight-binding method. Both one- and zero-dimensional structures have been studied. Concerning the one-dimensional structures, the effect of the confinement on the band structure of nanowires has been studied. We find that a transition from direct to indirect band gap occurs in the band structure as the size of the wire becomes smaller than a critical size. The effect is particularly prominent in the GaAs material. In the case of the zero-dimensional nanocrystals we have studied the effect of the confinement on the electronic structure of silicon. We show that the six-fold degenerate conduction band minima of the Si bulk crystal split into an A<sub>1</sub> state, an E state and a T<sub>2</sub> state. The ordering of these states is found to change with the size of the nanocrystal. The wave functions of the lowest unoccupied states and the highest occupied states of each symmetry have also been analyzed (Less)
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type
Chapter in Book/Report/Conference proceeding
publication status
published
subject
keywords
nanometer sized semiconductor crystals, electronic structure, tight binding method, zero dimensional structures, one dimensional structures, band structure, nanowires, indirect band gap, GaAs material, zero dimensional nanocrystals, silicon, Si, GaAs, T<sub>2</sub> state, A<sub>1</sub> state, E state, Si bulk crystal, six fold degenerate conduction band
host publication
7th International Conference on Nanometer-Scale Science and Technology and 21st European Conference on Surface Science
pages
2 pages
publisher
Lund University
conference name
Proceedings of 7th International Conference on Nanometer-Scale Science and Technology and 21st European Conference on Surface Science (NANO-7/ECOSS-21)
conference location
Malmö, Sweden
conference dates
2002-06-24 - 2002-06-28
language
English
LU publication?
yes
id
2bd176ab-c263-46fa-968d-54b403f0f51b (old id 611840)
date added to LUP
2016-04-04 11:29:08
date last changed
2018-11-21 21:05:09
@inproceedings{2bd176ab-c263-46fa-968d-54b403f0f51b,
  abstract     = {We report on a theoretical study of the electronic structure of semiconductor nanocrystals, based on a tight-binding method. Both one- and zero-dimensional structures have been studied. Concerning the one-dimensional structures, the effect of the confinement on the band structure of nanowires has been studied. We find that a transition from direct to indirect band gap occurs in the band structure as the size of the wire becomes smaller than a critical size. The effect is particularly prominent in the GaAs material. In the case of the zero-dimensional nanocrystals we have studied the effect of the confinement on the electronic structure of silicon. We show that the six-fold degenerate conduction band minima of the Si bulk crystal split into an A&lt;sub&gt;1&lt;/sub&gt; state, an E state and a T&lt;sub&gt;2&lt;/sub&gt; state. The ordering of these states is found to change with the size of the nanocrystal. The wave functions of the lowest unoccupied states and the highest occupied states of each symmetry have also been analyzed},
  author       = {Persson, Martin and Xu, Hongqi},
  booktitle    = {7th International Conference on Nanometer-Scale Science and Technology and 21st European Conference on Surface Science},
  language     = {eng},
  publisher    = {Lund University},
  title        = {Electronic structure of nanometer-sized semiconductor crystals},
  year         = {2002},
}