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FIGURE CAPTIONS

Figure 1. The ground state configuration of the interstitial carbon defect in Si. The atoms with reduced coordination numbers are marked.

Figure 2. The A-form of the di-carbon defect. The defect can be thought of as a C defect bound to a substitutional carbon atom.

Figure 3. The B-form of the di-carbon defect. This defect is a bond centered silicon atom lying between two substitutional carbon atoms.

Figure 4. The pseudo-wavefunctions of the carbon interstitial defect in Si. The white triangle represents the carbon atom, and its nearest Si neighbors are represented by white circles.
(a) Wavefunction of second highest occupied state, (110) plane,
(b) Wavefunction of highest occupied state (110) plane,
(c) Wavefunction of lowest unoccupied state (110) plane.

  
Table: Structural data of the C and C -C defects in Å . Here, the subscripts indicate the coordination of the atoms involved, with reference to Figures 1-3.

  
Table: Experimental and calculated LVMs, cm , of the C defect, and their downwards isotope shifts

  
Table: Experimental and calculated LVMs, cm , and their downwards isotope shifts of the B-form of C -C

 
Table: Relative total energies (eV) for the A and B forms of the di-carbon defect with varying charge state.

Reference 14.
Reference 9.
Reference 12.