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B原子的掺杂对富勒烯C_(32)的电子传输特性与负微分电阻效应的影响

Impact on the electronic transmission characteristic and negative differential resistance effects of fullerene C_(32) by B atom doping
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摘要 采用基于密度泛涵理论的第一性原理和非平衡格林函数方法研究了硼原子的掺杂对于富勒稀C32分子的电子传输特性与负微分电阻效应的影响.结果显示硼原子的掺杂明显降低了C32分子的电子传输特性,却增强了分子的负微分电阻效应.分析认为,硼原子的掺杂减少了核外电子是导致分子的电子传输性能降低和负微分电阻效应增强的主要原因.本文还研究了掺杂的硼原子的个数多少对C32分子的影响. The density functional theory （DFT） and the nonequilibrium Green＇s function （NEGF） based on the first theory were used to study the impact on the electronic transmission characteristic and Negative Differential Resistance Effects （NDRE） of the fullerene C32 by B atom intermingle.The results showed that B atom doping not only enhances the Negative Differential Resistance Effects apparently,but also weakens the electronic transmission ability of C32 molecule.The electron number decreasing by B atoms doping modulates the electronic transport ability and the negative differential resistance effect.We also studied the effect of the number B atom doping on the fullerene C32.
作者 霍新霞 张秀梅
机构地区 江南大学理学院
出处 《原子与分子物理学报》 CAS CSCD 北大核心 2014年第2期229-233,共5页 Journal of Atomic and Molecular Physics
基金 国家高技术研究发展计划(863计划)(2007AA04Z346) 南京大学固体微结构物理国家重点实验室项目M06008) 中央高校基本科研业务费专项资金资助项目(JUSRP31104) 教育部基本科研业务费专项资金资助项目(JUSRP11212)
关键词 C32分子器件 负微分电阻效应 伏安曲线 C32 molecule device Negative differential resistance effects Ⅰ-Ⅴ curve
分类号 O561 [理学—原子与分子物理]
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原子与分子物理学报
2014年 第2期

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