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Related Experiment Videos

Defect generation by hydrogen at the Si- SiO(2) interface.

S N Rashkeev1, D M Fleetwood, R D Schrimpf

  • 1Department of Physics and Astronomy, Vanderbilt University, Nashville, Tennessee 37235, USA.

Physical Review Letters
|November 3, 2001
PubMed
Summary
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Hydrogen passivation of silicon dangling bonds at the Si-SiO(2) interface is reversed by H(+) ions. Contrary to assumptions, this depassivation is a direct reaction, forming H(2) and a positively charged dangling bond, independent of silicon electrons.

Area of Science:

  • Solid State Physics
  • Materials Science
  • Computational Chemistry

Background:

  • Hydrogen is known to passivate silicon dangling bonds at the silicon-silicon dioxide interface.
  • The arrival of positively charged hydrogen ions (H+) at the interface is understood to cause depassivation of silicon-hydrogen bonds.

Purpose of the Study:

  • To investigate the mechanism of hydrogen-induced depassivation at the Si-SiO(2) interface.
  • To challenge conventional assumptions regarding the two-step depassivation process.

Main Methods:

  • First-principles density functional calculations were employed.
  • The study focused on the charge states and reaction pathways at the interface.

Main Results:

Related Experiment Videos

  • Contrary to conventional assumptions, depassivation is not a two-step process involving neutralization of H+ by a silicon electron.
  • H+ is the only stable charge state at the interface.
  • H+ reacts directly with silicon-hydrogen bonds, forming a hydrogen molecule (H2) and a positively charged dangling bond (Pb center).

    • Conclusions:

    • Hydrogen-induced interface trap formation is not dependent on the availability of silicon electrons.
    • The established mechanism clarifies the role of H+ in interface defect dynamics.