A First-Principle Study of B- and P-Doped Silicon Quantum Dots

Figure 1

A schematic representation of different sites within the QDs for a single substitution impurity. H and Si atoms are denoted by white and yellow balls, respectively. The sites shaded by a same color within the QDs correspond to equivalent doping sites. (a) Model of a 1.1 nm Si QD (Si₃₅H₃₆); the two different sites within the QD are marked by 1 and 2; (b) model of a 1.6 nm Si QD (Si₈₇H₇₆); the five different sites within the QD are marked by 1, 2, 3, 4, and 5.

(a)

(b)