Electronic structure of nanometer-sized semiconductor crystals

Martin Persson, Hongqi Xu

Research output: Chapter in Book/Report/Conference proceedingPaper in conference proceedingpeer-review

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<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
Original languageEnglish
Title of host publication7th International Conference on Nanometer-Scale Science and Technology and 21st European Conference on Surface Science
PublisherLund University
Number of pages2
Publication statusPublished - 2002
EventProceedings of 7th International Conference on Nanometer-Scale Science and Technology and 21st European Conference on Surface Science (NANO-7/ECOSS-21) - Malmö, Sweden
Duration: 2002 Jun 242002 Jun 28

Conference

ConferenceProceedings of 7th International Conference on Nanometer-Scale Science and Technology and 21st European Conference on Surface Science (NANO-7/ECOSS-21)
Country/TerritorySweden
CityMalmö
Period2002/06/242002/06/28

Subject classification (UKÄ)

  • Condensed Matter Physics

Free 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

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