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Proceedings Paper

Structural and stable properties of ZnSe/Si core-shell nanowire heterostructures: The first principles calculation
Author(s): Yijie Zeng; Bofan Zhou; Yan Huang; Yanbian Fang; Aijiang Lu; Chunrui Wang; Binhe Wu; Xiaofeng Xu; Huaizhong Xing
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Paper Abstract

Relations between composition and structural and stable properties of cubic zinc selenide-silicon core-shell nanowires (NWs) are studied by first principles calculation. The diameter is between 1.1 and 2.7 nm, and the direction of the NWs considered is [110]. The lattice constants of the nanowires deviate from the Vegard’s law positively with compressed ZnSe core. Stability of the NWs is discussed by taking binding energy into account. Pure Si NWs show an increasing trend of binding energy as the diameter increases while ZnSe NWs do not. Further analysis shows that zinc blende ZnSe NWs might be unstable under small diameters and a phase transition to wurtzite structure would occur. Our findings might give some guidance for the application of ZnSe/Si core-shell NWs in photoelectronics.

Paper Details

Date Published: 16 December 2013
PDF: 6 pages
Proc. SPIE 9068, Eighth International Conference on Thin Film Physics and Applications, 90680B (16 December 2013); doi: 10.1117/12.2051855
Show Author Affiliations
Yijie Zeng, Donghua Univ. (China)
Bofan Zhou, Lanzhou Univ. (China)
Yan Huang, Shanghai Institute of Technical Physics (China)
Yanbian Fang, Donghua Univ. (China)
Aijiang Lu, Donghua Univ. (China)
Chunrui Wang, Donghua Univ. (China)
Binhe Wu, Donghua Univ. (China)
Xiaofeng Xu, Donghua Univ. (China)
Huaizhong Xing, Donghua Univ. (China)

Published in SPIE Proceedings Vol. 9068:
Eighth International Conference on Thin Film Physics and Applications
Junhao Chu; Chunrui Wang, Editor(s)

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