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

Figure 3

Total density of states (TDOS) of four clusters with ODC(I) defect. (a) Si₂H₆, (b) Si₂O₆H₆, (c) Si₅O₁₅H₁₂, and (d) Si₈O₂₄H₁₈. The red vertical dashed lines align to highlight highest occupied molecular orbital (HOMO) level.

(a)

(b)

(c)

(d)