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Related Experiment Video

Updated: Jul 8, 2026

Monolayer Contact Doping of Silicon Surfaces and Nanowires Using Organophosphorus Compounds
09:45

Monolayer Contact Doping of Silicon Surfaces and Nanowires Using Organophosphorus Compounds

Published on: December 2, 2013

Size limits on doping phosphorus into silicon nanocrystals.

T-L Chan1, Murilo L Tiago, Efthimios Kaxiras

  • 1Center for Computational Materials, Institute for Computational Engineering and Sciences, University of Texas, Austin, Texas 78712, USA.

Nano Letters
|December 25, 2007
PubMed
Summary
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We investigated phosphorus-doped silicon nanocrystals, finding their electronic properties match experiments. A critical size was identified below which dopants are expelled from the silicon nanocrystal surface.

Area of Science:

  • Condensed Matter Physics
  • Materials Science
  • Nanotechnology

Background:

  • Understanding the electronic properties of semiconductor nanocrystals is crucial for advanced electronic and optoelectronic applications.
  • Phosphorus doping in silicon nanocrystals introduces unique electronic characteristics that are sensitive to size and surface effects.

Purpose of the Study:

  • To investigate the electronic properties of phosphorus-doped silicon nanocrystals.
  • To compare theoretical calculations with experimental measurements for these nanostructures.
  • To determine the influence of nanocrystal size on dopant behavior and electronic properties.

Main Methods:

  • Utilized the real-space first-principles pseudopotential method for theoretical simulations.
  • Simulated silicon nanocrystals with diameters up to 6 nanometers.

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Related Experiment Videos

Last Updated: Jul 8, 2026

Monolayer Contact Doping of Silicon Surfaces and Nanowires Using Organophosphorus Compounds
09:45

Monolayer Contact Doping of Silicon Surfaces and Nanowires Using Organophosphorus Compounds

Published on: December 2, 2013

Characterization of Nanocrystal Size Distribution using Raman Spectroscopy with a Multi-particle Phonon Confinement Model
06:54

Characterization of Nanocrystal Size Distribution using Raman Spectroscopy with a Multi-particle Phonon Confinement Model

Published on: August 22, 2015

Silicon Metal-oxide-semiconductor Quantum Dots for Single-electron Pumping
14:58

Silicon Metal-oxide-semiconductor Quantum Dots for Single-electron Pumping

Published on: June 3, 2015

  • Performed direct comparisons between calculated and experimental data for hyperfine splitting.

    • Main Results:

    • Achieved excellent agreement between calculated and experimental size dependence of hyperfine splitting.
    • Identified a critical nanocrystal size for phosphorus-doped silicon.
    • Predicted dopant ejection to the surface below this critical size.

    Conclusions:

    • The first-principles pseudopotential method accurately predicts the electronic properties of phosphorus-doped silicon nanocrystals.
    • Nanocrystal size plays a critical role in determining dopant location and electronic behavior.
    • These findings provide insights for designing and fabricating silicon nanocrystals with tailored electronic properties.