Self-purification in semiconductor nanocrystals

被引：572

作者：

Dalpian, Gustavo M. ^{[1
]}

Chelikowsky, James R.

机构：

[1] Univ Texas, Dept Phys, Ctr Computat Mat, Inst Computat Engn & Sci, Austin, TX 78712 USA

[2] Univ Texas, Dept Chem Engn, Austin, TX 78712 USA

来源：

PHYSICAL REVIEW LETTERS | 2006年 / 96卷 / 22期

关键词：

D O I：

10.1103/PhysRevLett.96.226802

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

Doping of nanocrystals is an important and very difficult task. "Self-purification" mechanisms are often claimed to make this task even more difficult, as the distance a defect or impurity must move to reach the surface of a nanocrystal is very small. We show that self-purification can be explained through energetic arguments and is an intrinsic property of defects in semiconductor nanocrystals. We find the formation energies of defects increases as the size of the nanocrystal decreases. We analyze the case of Mn-doped CdSe nanocrystals and compare our results to experimental findings.

引用

页数：4

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