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题名: Chemical trends of defect formation in Si quantum dots: The case of group-III and group-V dopants
作者: Xu Q (Xu Qiang);  Luo JW (Luo Jun-Wei);  Li SS (Li Shu-Shen);  Xia JB (Xia Jian-Bai);  Li JB (Li Jingbo);  Wei SH (Wei Su-Huai)
发表日期: 2007
摘要: Using first-principles methods, we have systematically calculated the defect formation energies and transition energy levels of group-III and group-V impurities doped in H passivated Si quantum dots (QDs) as functions of the QD size. The general chemical trends found in the QDs are similar to that found in bulk Si. We show that defect formation energy and transition energy level increase when the size of the QD decreases; thus, doping in small Si QDs becomes more difficult. B-Si has the lowest acceptor transition energy level, and it is more stable near the surface than at the center of the H passivated Si QD. On the other hand, P-Si has the smallest donor ionization energy, and it prefers to stay at the interior of the H passivated Si QD. We explained the general chemical trends and the dependence on the QD size in terms of the atomic chemical potentials and quantum confinement effects.
KOS主题词: Porous silicon
刊名: PHYSICAL REVIEW B
专题: 中国科学院半导体研究所(2009年前)_期刊论文

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推荐引用方式:
Xu, Q (Xu, Qiang); Luo, JW (Luo, Jun-Wei); Li, SS (Li, Shu-Shen); Xia, JB (Xia, Jian-Bai); Li, JB (Li, Jingbo); Wei, SH (Wei, Su-Huai) .Chemical trends of defect formation in Si quantum dots: The case of group-III and group-V dopants ,PHYSICAL REVIEW B,JUN 2007,75 (23):Art.No.235304
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