First stage of oxygen aggregation in silicon : the oxygen dimer

• 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.

Subject headings

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

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

Keyword

Scientific Computing

Teknisk-vetenskapliga beräkningar

Publication and Content Type

ref (subject category)

art (subject category)