Two-Dimensional γ-Graphyne Suspended on Si(111): A Hybrid Device

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• 作者：Aldilene Saraiva-Souza ; Manuel Smeu ; Lei Zhang ; Mark A. Ratner ; Hong Guo
• 刊名：Journal of Physical Chemistry C
• 出版年：2016
• 出版时间：March 3, 2016
• 年：2016
• 卷：120
• 期：8
• 页码：4605-4611
• 全文大小：666K
• ISSN：1932-7455

文摘

Graphynes (GYs) are a new class of two-dimensional (2D) carbon allotrope materials that are similar to graphene but with C₂ units inserted into certain bonds to produce physical properties distinct from those of graphene. In this work, atomic, electronic, and quantum transport properties of γ-GY—a particular type of graphyne—absorbed on the silicon (111) surface are investigated from atomistic first principles. γ-GY possesses an intrinsic direct band gap, and when interacting with the Si(111), interesting subgap electronic structure is induced to mediate charge transport. In particular, the transmission spectra of the γ-GY/Si(111) hybrid device have a high broad peak at the Fermi level due to hybridization. For γ-GY/Si(111) transport junctions having a finite length trench underneath the γ-GY, substantial charge conduction can still occur through the γ-GY bridge. Nonequilibrium calculations suggest that the hybrid 2D γ-GY/Si(111) transport junction is highly controllable by external voltages.