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Self-interstitial in germanium.

A Carvalho1, R Jones, C Janke

  • 1School of Physics, University of Exeter, Stocker Road, Exeter, EX4 4QL, United Kingdom. carvalho@excc.ex.ac.uk

Physical Review Letters
|November 13, 2007
PubMed
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Radiation damage in germanium (Ge) differs between n-type and p-type materials. Density functional theory reveals interstitials are bistable, impacting their behavior and explaining experimental observations.

Area of Science:

  • Materials Science
  • Solid State Physics
  • Computational Materials Science

Background:

  • Low-temperature radiation damage in germanium (Ge) exhibits distinct behaviors in n-type and p-type semiconductors.
  • These differences are attributed to the charge-dependent properties of point defects, specifically vacancies and self-interstitials.

Purpose of the Study:

  • To investigate the charge-dependent properties of interstitials in germanium using theoretical calculations.
  • To elucidate the mechanisms behind the observed differences in low-temperature radiation damage between n-type and p-type Ge.
  • To correlate theoretical defect properties with experimental findings from electron-irradiation studies.

Main Methods:

  • Utilizing density functional theory (DFT) to model defect structures and energies in germanium.

Related Experiment Videos

  • Evaluating the migration energies of relevant point defects.
  • Comparing theoretical predictions with experimental results from low-temperature electron irradiation.

    • Main Results:

    • Germanium interstitials are found to be bistable, adopting different configurations based on their charge state.
    • The neutral interstitial prefers a split configuration, which is found to be inert.
    • The positively charged interstitial adopts an open cage configuration and acts as a double donor.
    • Calculated migration energies align with principal experimental observations.

    Conclusions:

    • The bistable nature of germanium interstitials is a key factor in the charge-dependent radiation damage.
    • Density functional theory provides a robust framework for understanding defect behavior in irradiated germanium.
    • The theoretical model successfully explains the principal outcomes of low-temperature electron-irradiation experiments in germanium.