Structural and Optical Properties of α-Quartz Cluster with Oxygen-Deficiency Centers

Figure 5

The OA spectra of four clusters calculated by TDDFT, which have ODC(I) defects. Gaussian broadening of 0.5 eV is used. (a) Si₂H₆, (b) Si₂O₆H₆, (c) Si₅O₁₅H₁₂, and (d) Si₈O₂₄H₁₈.

(a)

(b)

(c)

(d)