Electronic Properties of Bilayer Zigzag Graphene Nanoribbons:First Principles Study  

作　　者：OUYANG Fang-Ping CHEN Li-Jian XIAO Jin ZHANG Hua 欧阳方平;谌立建;肖金;张华(School of Physics Science and Technology,Central South University,Changsha 410083;College of Chemistry and Molecular Engineering,and Beijing National Laboratory for Molecular Sciences,Peking University,Beijing 100871)

机构地区：[1]School of Physics Science and Technology,Central South University,Changsha 410083 [2]College of Chemistry and Molecular Engineering,and Beijing National Laboratory for Molecular Sciences,Peking University,Beijing 100871

出　　处：《Chinese Physics Letters》2011年第4期194-196,共3页中国物理快报（英文版）

基　　金：Supported by the China Postdoctoral Science Foundation(Nos 20090460145 and 201003009);the Fundamental Research Funds for the Central Universities(No 201012200053);the Science and Technology Program of Hunan Province of China(No 2010DFJ411);High Performance Computing Center of CSU.

摘　　要：Based on the density functional theory,we calculate the dependence of the band structures of bilayer ziezaff-edzed grapnene nanonooons(BZGNRs)upon ribbon width,interlayer distance and stacking styles.Unlike monolayer zigzag GNR,whose energy gap is always zero under different ribbon widths,the gap of BZGNR varies greathy with the ribbon width or the interlayer distance.The greatest gaps for AA-stacking and AB-stacking BZGNRs are about 0.22eV and 0.12eV,respectively,which implies that gap-tuning of AA-BZGNRs is more effective than that of AB-BZGNRs.These results present a way to tune the band structures of BZGNRs and also provide theoretical guidance for the fabrication of GNR-based piezoelectric devices.

关 键 词：INTERLAYER PIEZOELECTRIC LAYER 

分 类 号：TB3[一般工业技术—材料科学与工程]