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Phosphorus donors in highly strained silicon.

Hans Huebl1, Andre R Stegner, Martin Stutzmann

  • 1Walter Schottky Institut, Technische Universität München, Am Coulombwall 3, Garching, Germany. huebl@wsi.tum.de

Physical Review Letters
|December 13, 2006
PubMed
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Researchers studied phosphorus donors in strained silicon films. They found significantly reduced hyperfine interactions due to strain, explained by increased cell volume and ligand relaxation.

Area of Science:

  • Solid State Physics
  • Materials Science
  • Quantum Chemistry

Background:

  • Understanding donor properties in strained silicon is crucial for advanced semiconductor devices.
  • Previous studies on hyperfine interactions in silicon did not fully account for significant lattice strain effects.

Purpose of the Study:

  • To investigate the hyperfine interaction of phosphorus donors in strained silicon-on-virtual-SiGe substrates.
  • To determine the impact of lattice strain on donor electron wavefunctions and hyperfine coupling.

Main Methods:

  • Electrically Detected Magnetic Resonance (EDMR) was used to measure hyperfine interactions.
  • Density Functional Theory (DFT) calculations, employing a Green's function approach, were performed to model the electronic structure.

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Main Results:

  • Hyperfine interactions as low as 0.8 mT were observed in highly strained silicon epilayers.
  • These values are significantly lower than those predicted by models considering only valley repopulation.
  • DFT calculations confirmed that lattice expansion and Si ligand relaxation around the donor reduce hyperfine coupling.

Conclusions:

  • Lattice strain in Si(1-x)Ge(x) substrates significantly modifies phosphorus donor hyperfine interactions.
  • The observed reduction is attributed to both volume expansion and local atomic relaxation effects.
  • This work provides a deeper understanding of impurity behavior in strained semiconductors, relevant for spintronics and quantum computing.