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APS » Journals » Phys. Rev. Lett. » Volume 81 » Issue 14
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Phys. Rev. Lett. 81, 2930–2933 (1998)

First Stage of Oxygen Aggregation in Silicon: The Oxygen Dimer

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S. Öberg
Department of Mathematics, University of Luleå, Luleå, S97187, Sweden

C. P. Ewels and R. Jones
Department of Physics, University of Exeter, Exeter, EX4 4QL, United Kingdom

T. Hallberg and J. L. Lindström
Department of Physics and Measurement Technology, Linköping University, S-581 83 Linköping, Sweden

L. I. Murin
Institute of Solid State and Semiconductor Physics, Minsk 220072, Belarus

P. R. Briddon
Department of Physics, University of Newcastle upon Tyne, Newcastle, NE1 7RU, United Kingdom

Received 25 March 1998; published in the issue dated 5 October 1998

The structure and dynamic properties of the interstitial oxygen dimer in silicon are found using a combination of infrared spectroscopy and ab initio modeling. We find that the stable dimer consists of a pair of inequivalent weakly coupled interstitial oxygen atoms separated by a Si-Si bond. Two high frequency modes are decoupled in one 16O-18O combination but are strongly mixed in the other combination. A third lower lying mode involves the compression of the Si-Si bond joining the oxygen atoms and gives distinct modes in the mixed 16O-18O case.

© 1998 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevLett.81.2930
DOI:
10.1103/PhysRevLett.81.2930
PACS:
61.72.Bb, 63.20.Pw, 78.30.Am
 
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