Sharp corners in the cross section of ultrathin Si nanowires

被引：35

作者：

Cao, J. X. ^{[1
]}

Gong, X. G.

Zhong, J. X.

Wu, R. Q.

机构：

[1] Univ Calif Irvine, Dept Phys & Astron, Irvine, CA 92697 USA

[2] Xiangtan Univ, Dept Phys, Xiangtan 411105, Peoples R China

[3] Chinese Acad Sci, Interdisciplinary Ctr Theoret Studies, Beijing 100080, Peoples R China

[4] Fudan Univ, Dept Phys, Shanghai 200433, Peoples R China

[5] Fudan Univ, Surface Sci Lab, State Key, Shanghai 200433, Peoples R China

来源：

PHYSICAL REVIEW LETTERS | 2006年 / 97卷 / 13期

关键词：

D O I：

10.1103/PhysRevLett.97.136105

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

We have determined stable geometries for pristine Si nanowires grown along their < 100 > axis through systematic density functional studies. Strikingly, Si nanowires with diameters smaller than 1.7 nm prefer a shape that has a square cross section. This stems from dimerization between corner atoms and also from benign reconstruction patterns that maximally saturate Si dangling bonds.

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