石墨烯-C_(60)复合结构场致电子发射机制研究  

Investigation on Field Emission Mechanism of Graphene-C_(60) Composite by Using First-principles

作　　者：邓林[1] 赵艳芳[2] 张立强[2] DENG Lin ZHAO Yanfang ZHANG Liqiang(School of Civil Engineering and Mechanics, Jiangsu University, Zhenjiang 212013, China School of Mechanical Engineering, Jiangsu University, Zhenjiang 212013, China)

机构地区：[1]江苏大学土木工程与力学学院,江苏镇江212013 [2]江苏大学机械工程学院,江苏镇江212013

出　　处：《电子科技》2017年第1期12-15,共4页Electronic Science and Technology

基　　金：江苏省2014年普通高校研究生科研创新计划基金资助项目(KYLX_1018);江苏省青年基金资助项目(BK20130537)

摘　　要：为设计新型场发射器件,构建了石墨烯-C_(60)复合结构来探索其电子结构和场发射特性,采用第一性原理方法研究其结构稳定性、轨道能级、局域电子态分布、功函数和离化能、电荷布局分析。研究发现,带隙的减小和局域电子态分布的变化表明,复合物的场发射特性得到了明显改善。随电场强度的增加,Mulliken,Hirshfeld和ESP电荷的有效移动及离化能和功函数的减小,进一步表明复合结构场发射性能的提升。A new model of graphene - C60 composite was constructed to explore the electronic structures and field emission characteristics in new composite materials for designing field emission devices. The structural stability, energy levels, local electron density distributions, work functions, ionization potentials, charge distributions of this composite investigated by using first principles. The reduction of the energy gaps and the changes of the local electron density distributions verified that the field emission properties of the composite can be enhanced significantly. Fur- thermore, the Mulliken, Hirshfeld and electrostatic potential fitting （ESP） charge moved efficiently as well as the work functions and ionization potentials decreased linearly with the increasing electric field, which further showed the improvement of Keywords graphene - C60 composite＇s field emission properties.

关 键 词：场发射性能 电子结构 石墨烯-C60复合物 第一性原理 

分 类 号：TN304.2[电子电信—物理电子学] TB332[一般工业技术—材料科学与工程]