Interstitial aggregates and a new model for the I1/W optical centre in silicon

• The properties of di-interstitial (I2), tri-interstitial (I3) and tetra-interstitial (I4) structures in silicon were studied by employing first principles local-density-functional (LDF) theory. A tri-interstitial defect can account for many of the fundamental properties of the I1/W-optical center which is observed in irradiated, annealed silicon. Energy comparisons between di-interstitial defects reveal four low-energy structures within 0.5 eV of each other.

Ämnesord

NATURVETENSKAP  -- Matematik -- Beräkningsmatematik (hsv//swe)

NATURAL SCIENCES  -- Mathematics -- Computational Mathematics (hsv//eng)

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Scientific Computing

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