Tuning Electronic Structure of Bilayer MoS2 by Vertical Electric Field: A First-Principles Investigation

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• 作者：Qihang Liu ; Linze Li ; Yafei Li ; Zhengxiang Gao ; Zhongfang Chen ; Jing Lu
• 刊名：The Journal of Physical Chemistry C
• 出版年：2012
• 出版时间：October 11, 2012
• 年：2012
• 卷：116
• 期：40
• 页码：21556-21562
• 全文大小：425K
• 年卷期：v.116,no.40(October 11, 2012)
• ISSN：1932-7455

文摘

Interest in the two-dimensional MoS₂ material is consistently increasing because of its many potential applications, in particular in the next-generation nanoelectronic devices. By means of density functional theory computations, we systematically examined the effect of vertical electric field on the electronic structure of MoS₂ bilayer. The bandgaps of the bilayer MoS₂ monotonically decrease with an increasing vertical electric field. The critical electric fields, at which the semiconductor-to-metal transition occurs, are predicted to be in the range of 1.0鈥?.5 V/脜 depending on different stacked conformations. Ab initio quantum transport simulations of a dual-gated bilayer MoS₂ channel clearly confirm that the vertical electric field continuously manipulates the transmission gap of bilayer MoS₂.