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Related Experiment Videos

Electrically deactivating nearest-neighbor donor-pair defects in Si.

Yong-Sung Kim1, Eun-Cheol Lee, K J Chang

  • 1Department of Physics, Korea Advanced Institute of Science and Technology, Daejon 305-701, Korea.

Physical Review Letters
|October 4, 2003
PubMed
Summary
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Nearest-neighbor donor pairs in silicon (Si) become energetically favorable at high doping levels. These electrically inactive pairs, formed by dopant atoms, explain the observed carrier saturation in n-type silicon.

Area of Science:

  • Solid State Physics
  • Materials Science
  • Computational Materials Science

Background:

  • Understanding dopant behavior in silicon (Si) is crucial for semiconductor device performance.
  • High doping levels in n-type Si can lead to phenomena like carrier saturation, limiting device efficiency.
  • The atomic configurations and electronic properties of dopant clusters are not fully understood.

Purpose of the Study:

  • To investigate the energetic stability and electronic properties of nearest-neighbor donor pairs in highly n-type silicon.
  • To identify specific dopant configurations responsible for electrical inactivity at high doping concentrations.
  • To provide a theoretical explanation for the observed carrier saturation in doped silicon.

Main Methods:

  • First-principles density-functional calculations were employed.

Related Experiment Videos

  • The study focused on nearest-neighbor dopant pairs in silicon.
  • Energetic stability and defect levels of various configurations were computed.
  • Main Results:

    • A class of energetically favorable nearest-neighbor donor pairs in n-type Si was identified.
    • Two configurations were proposed: fourfold coordinated and threefold coordinated (via bond-breaking).
    • For P and As, the energy difference between states is < 0.1 eV; for Sb, the threefold state is more stable by 0.24 eV.
    • The fourfold coordinated state has a deep donor level near the valence band maximum; the threefold state's level is deep within the valence band.

    Conclusions:

    • Both proposed donor pair configurations are electrically inactive at very high doping levels.
    • These inactive donor pairs are suggested to be the cause of carrier saturation in highly n-type silicon.
    • The findings offer insights into dopant behavior and defect physics in heavily doped semiconductors.