Size limits on doping phosphorus into silicon nanocrystals

被引：133

作者：

Chan, T. L. ^{[1
]}

Tiago, Murilo L. ^{[1
]}

Kaxiras, Efthimios ^{[2
]}

Chelikowsky, James R. ^{[1
]}

机构：

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

[2] Harvard Univ, Sch Engn & Appl Sci, Dept Phys, Cambridge, MA 02138 USA

来源：

NANO LETTERS | 2008年 / 8卷 / 02期

关键词：

D O I：

10.1021/nl072997a

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

We studied the electronic properties of phosphorus-doped silicon nanocrystals using the real-space first-principles pseudopotential method. We simulated nanocrystals with a diameter of up to 6 nm and made a direct comparison with experimental measurement for the first time for these systems. Our calculated size dependence of hyperfine splitting was in excellent agreement with experimental data. We also found a critical nanocrystal size below which we predicted that the dopant will be ejected to the surface.

引用

页码：596 / 600

页数：5

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