Tunable Band Gap in Hydrogenated Bilayer Graphene
Tunable Band Gap in Hydrogenated Bilayer Graphene
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DOI：
10.1021/nn1007868
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发表时间：
2010-07-01
期刊：
影响因子：
17.1
通讯作者：
Wang, Xiao-Qian
中科院分区：
文献类型：
--
作者：
Samarakoon, Duminda K.;Wang, Xiao-Qian
用第一性原理密度泛函方法研究了氢化双层石墨烯在垂直偏压下的电子结构特征。在两层氢化石墨烯之间施加的偏置电压允许连续地调节带隙，并导致从半导体到金属状态的转变。从椅子构象中的一层中解吸氢产生具有可调带隙的铁磁性半导体。讨论了调整偏置体系的能带结构对未来石墨烯器件应用的影响。
We have studied the electronic structural characteristics of hydrogenated bilayer graphene under a perpendicular electric bias using first-principles density functional calculations. The bias voltage applied between the two hydrogenated graphene layers allows continuous tuning of the band gap and leads to transition from semiconducting to metallic state. Desorption of hydrogen from one layer in the chair conformation yields a ferromagnetic semiconductor with a tunable band gap. The implications of tailoring the band structure of biased system for future graphene-based device applications are discussed.