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

Figure 3

Differences of total energies between doped QDs with different impurity positions and corresponding undoped ones. The x-axis measures the distance from the center to the replaced Si atom in undoped QDs. Different x value corresponds different impurity position. Along the increasing direction of x-axis, they are in the order of Si₃₄XH₃₆-2, Si₃₄XH₃₆-1 for Si₃₅H₃₆-based QDs, and for Si₈₇H₇₆-based QDs the order is Si₈₆XH₇₆-5, Si₈₆XH₇₆-4, Si₈₆XH₇₆-3, Si₈₆XH₇₆-2, Si₈₆XH₇₆-1.