Group III dopant segregation and semiconductor-to-metal transition in ZnO nanowires: a first principles study

Maojie Xu; Yaozhong Zhang; Liangming Wei; Jing Zhang; Bingjian Qian; Jiyun Lu; Chao Zhang; Yanjie Su; Xinwei Dong; Yafei Zhang; Liang Wang; Xiaoshuang Chen

doi:10.1039/C3RA43858A

Group III dopant segregation and semiconductor-to-metal transition in ZnO nanowires: a first principles study

Maojie Xu,*^a Yaozhong Zhang,^a Liangming Wei,^a Jing Zhang,^a Bingjian Qian,^a Jiyun Lu,^a Chao Zhang,^a Yanjie Su,^a Xinwei Dong,^a Yafei Zhang,*^a Liang Wang^b and Xiaoshuang Chen^b

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* Corresponding authors

^a Key Laboratory for Thin Film and Microfabrication of the Ministry of Education, Research Institute of Micro/Nano Science and Technology, Shanghai Jiao Tong University, Shanghai 200240, People's Republic of China
E-mail: mjxu@sjtu.edu.cn, yfzhang@sjtu.edu.cn

^b National Laboratory for Infrared Physics, Shanghai Institute of Technical Physics, Chinese Academy of Sciences, Shanghai 200083, People's Republic of China

Abstract

The doping modulation in semiconductor nanomaterials is key to achieving high-efficiency nanodevices. Group III dopants in ZnO nanowires are predicted to tend to segregate to the surface and induce a metallic transition at high doping concentrations due to the delocalization of donor electron wave functions.

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Group III dopant segregation and semiconductor-to-metal transition in ZnO nanowires: a first principles study

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