Thermal double donors in Si and Ge

• Three experiments appear to cast doubt on self-interstitial-free models of the family of thermal donors, based on oxygen defects of increasing size. These are (a) the rapid transformation of TDD(N) into TDD(N+1) with activation energies considerably lower than that of oxygen diffusion, (b) the lack of any appreciable spin-density on oxygen in TDD(N)+, and (c) the observation of only two oxygen related vibrational modes associated with each donor. However, we show that the oxygen-only model of the donors is compatible with experiment for a structure involving an insulating core with normal oxygen coordination, surrounded by over-coordinated oxygen atoms which are responsible for the donor activity. It is also shown that the calculated stress-energy tensors for the early donors are in good agreement with the measurements.

Ämnesord

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

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

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Scientific Computing

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