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Intrinsic electron trapping in amorphous oxide.

Jack Strand1, Moloud Kaviani, Valeri V Afanas'ev

  • 1Department of Physics and Astronomy, University College London, Gower Street, London WC1E 6BT, United Kingdom.

Nanotechnology
|January 16, 2018
PubMed
Summary
This summary is machine-generated.

Electron trapping in amorphous hafnium oxide (a-HfO2) occurs at intrinsic sites formed by under-coordinated Hf cations and elongated Hf-O bonds, not broken bonds. This finding offers a new understanding of charge trapping in non-glass-forming amorphous insulators.

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Area of Science:

  • Materials Science
  • Solid State Physics
  • Nanotechnology

Background:

  • Amorphous oxide films are crucial in modern electronics.
  • Understanding charge trapping mechanisms is vital for device performance and reliability.
  • Non-glass-forming amorphous oxides present unique defect structures compared to traditional glass-forming materials.

Purpose of the Study:

  • To investigate the nature and energy distribution of intrinsic electron trapping sites in amorphous hafnium oxide (a-HfO2).
  • To elucidate the atomic origins of these trapping sites.
  • To compare trapping mechanisms in non-glass-forming oxides with those in glass-forming oxides.

Main Methods:

  • Photo-depopulation spectroscopy to determine energy distributions of trapped electrons.
  • Density functional theory (DFT) calculations to model amorphous hafnium oxide structures and defect sites.
  • Comparison of experimental data with theoretical calculations.

Main Results:

  • Identified intrinsic electron trapping states in a-HfO2 within 2-3 eV below the conduction band.
  • Attributed these states to under-coordinated Hf cations and elongated Hf-O bonds.
  • Demonstrated that these sites can trap up to two electrons, forming polarons and bi-polarons, without bond breaking.

Conclusions:

  • Intrinsic charge trapping in a-HfO2 is governed by under-coordinated cations and bond distortions, distinct from dangling bonds in SiO2.
  • A novel mechanism of intrinsic charge trapping in non-glass-forming amorphous insulators is proposed.
  • Hydrogen incorporation can further deepen electron trap energies.