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The E1-E2 center in gallium arsenide is the divacancy.

Peter A Schultz1

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|January 31, 2015
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The E1-E2 center in irradiated gallium arsenide (GaAs) is not an isolated arsenic vacancy, but likely a divacancy. This research reassigns the arsenic monovacancy to the E3 center, resolving experimental discrepancies.

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Area of Science:

  • Semiconductor Physics
  • Materials Science
  • Computational Materials Science

Background:

  • Irradiated gallium arsenide (GaAs) exhibits complex defect structures.
  • The E1-E2 and E3 centers are experimentally observed defects in irradiated GaAs.
  • Previous assignments of these defect centers have led to conflicting interpretations.

Purpose of the Study:

  • To identify the atomic structure responsible for the E1-E2 and E3 defect energy levels in irradiated GaAs.
  • To resolve contradictions in experimental observations regarding GaAs defect centers.
  • To provide accurate assignments for intrinsic point defects in irradiated GaAs.

Main Methods:

  • First-principles calculations were employed to compute defect energy levels.
  • Theoretical modeling was used to simulate intrinsic point defects in GaAs.
  • Comparison of computed energy levels with experimental data for defect identification.

Main Results:

  • The E1-E2 center in irradiated GaAs is definitively not an isolated arsenic vacancy.
  • The divacancy is identified as the most probable intrinsic defect matching the E1 and E2 energy levels.
  • The arsenic monovacancy is reassigned to the E3 center in irradiated GaAs.

Conclusions:

  • The divacancy is the correct assignment for the E1-E2 center in irradiated GaAs.
  • The arsenic monovacancy is reassigned to the E3 center, reconciling experimental data.
  • These revised defect assignments provide a consistent framework for understanding irradiated GaAs.