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Tunable and sizable band gap in silicene by surface adsorption

机译:表面吸附可调节硅带中的可调节带隙

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摘要

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 108. Therefore, a way is paved for silicene as the channel of a high-performance FET.
机译:与高性能场效应晶体管(FET)一样,对于硅材料和石墨烯而言,在不降低其高载流子迁移率的情况下打开相当大的带隙至关重要。我们的密度泛函理论计算预测,由于亚晶格或键对称性破坏,碱金属原子的单面吸附会在硅烯中打开带隙。带隙的大小可以通过改变吸附范围来控制,最大的带隙高达0.50 eV。基于钠覆盖的硅的底部栅极FET的从头算起量子传输仿真显示了一个与带隙一致的传输间隙,其导通/截止电流比高达10 8 。因此,为硅作为高性能FET的通道铺平了道路。

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