正三角锯齿型石墨烯的电子输运特性

doi:10.3866/PKU.WHXB201204172

Abstract

Abstract:

Based on the density functional theory and the non-equilibrium Green?s function method, the electronic transport properties of zigzag-edged triangular graphene were studied systematically. The results revealed that the current-voltage (I-V) characteristics and rectifying effects were closely related to the geometric size and the type of atoms terminated at the edges of triangular graphene. In the case of Hand S- terminated edges, a small triangular graphene had a large current but with a small rectifying ratio. Although the current increased, the rectifying behavior was lowered when H atoms at the edges of the structure were replaced by O atoms. Deeper analysis demonstrated that such a rectification was caused by the asymmetry in the spatial distribution of the frontier orbitals and an asymmetric movement on the molecular-level in triangular graphene under positive and negative biases. It is of great significance that our investigations develop a thorough understanding of the basic physical properties of a triangular graphene.

Key words: Triangular graphene, Rectifying effect, Electronic transport property, Density functional theory, Non-equilibrium Green?s function method

MSC2000:

O641

ZHANG Jun-Jun, ZHANG Zhen-Hua, GUO Chao, LI Jie, DENG Xiao-Qing. Electronic Transport Properties for a Zigzag-Edged Triangular Graphene[J].Acta Phys. -Chim. Sin., 2012, 28(07): 1701-1706.

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Electronic Transport Properties for a Zigzag-Edged Triangular Graphene

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