Tunable and sizable band gap in silicene by surface adsorption

Ruge Quhe, Ruixiang Fei, Qihang Liu, Jiaxin Zheng, Hong Li, Chengyong Xu, Zeyuan Ni, Yangyang Wang, Dapeng Yu, Zhengxiang Gao, Jing Lu*

*Corresponding author for this work

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Abstract

Opening a sizable band gap without degrading its high carrier mobility is as vital for silicene as for graphene to its application as a high-performance field effect transistor (FET). Our density functional theory calculations predict that a band gap is opened in silicene by single-side adsorption of alkali atom as a result of sublattice or bond symmetry breaking. The band gap size is controllable by changing the adsorption coverage, with an impressive maximum band gap up to 0.50 eV. The ab initio quantum transport simulation of a bottom-gated FET based on a sodium-covered silicene reveals a transport gap, which is consistent with the band gap, and the resulting on/off current ratio is up to 10 8. Therefore, a way is paved for silicene as the channel of a high-performance FET.

Original languageEnglish
Article number853
JournalScientific Reports
Volume2
DOIs
Publication statusPublished - 2012
Externally publishedYes

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Quhe, R., Fei, R., Liu, Q., Zheng, J., Li, H., Xu, C., Ni, Z., Wang, Y., Yu, D., Gao, Z., & Lu, J. (2012). Tunable and sizable band gap in silicene by surface adsorption. Scientific Reports, 2, Article 853. https://doi.org/10.1038/srep00853