期刊
SOLID STATE COMMUNICATIONS
卷 207, 期 -, 页码 26-29出版社
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.ssc.2015.02.006
关键词
Local deformation; Surface strain; Se nanowires; Band gap modulation
资金
- National Natural Science Foundation of China [51302231, 51271155, 51377138]
- Fundamental Research Funds for the Central Universities [SWJTU2682013RC02, SWJTU11ZT31, 2682013CX004]
Based on the models built with our cyclic replacement method we introduced local strain into the (111) facet of the Si < 112 > nanowires. With ab initio approach, it is found that the electronic band structures of the nanowires are modulated efficiently by the surface strains: the indirect band gap declines by strong surface compression, while it always decreases and impressively changes to a direct band gap with surface tension. Moreover, the local deformations result in spatial separation of the valence band minimum to the compressed surface and the conduction band minimum to the tensed surface. (C) 2015 Elsevier Ltd. All rights reserved.
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