| C_(60),M@C_(60)电子传输特性研究 |
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| 引用本文： | 沈海军,付光俊,陈裕.C_(60),M@C_(60)电子传输特性研究[J].微纳电子技术,2006,43(9):430-433,441. |
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| 作者姓名： | 沈海军 付光俊 陈裕 |
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| 作者单位： | 南京航空航天大学,航空宇航学院,南京,210016 |
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| 摘 要： | 采用扩展的Hückel方法与格林函数方法,分析了双Au电极作用下,C60,M@C60(M=Si,Ge)富勒烯分子的电子结构与导电性,并对三种富勒烯分子的电子结构与电子输运特性进行了对比。研究结果表明,三种富勒烯分子与A u电极“接触”后,其最高占据分子轨道与最低未占据分子轨道间的能隙减小,它们与A u电极之间的结合既有共价键的成分,又有离子键的成分;三种富勒烯分子的电子输运性能依次具有Ge@C60>Si@C60>C60的顺序。
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| 关 键 词： | C_(60)富勒烯分子 Hückel方法 格林函数 电子结构 电子传输 |
| 文章编号： | 1671-4776（2006）09-0430-04 |
| 收稿时间： | 2006-02-16 |
| 修稿时间： | 2006-02-16 |
Research on the Electronic Transmission of C60, M@C60 |
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| SHEN Hai-jun,FU Guang-jun,CHEN Yu.Research on the Electronic Transmission of C60, M@C60[J].Micronanoelectronic Technology,2006,43(9):430-433,441. |
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| Authors: | SHEN Hai-jun FU Guang-jun CHEN Yu |
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| Abstract: | Extend Hückel method and Green's-function-based method,were used for analysing and comparing the electronic structure and electronic transmission of Au electrode-C60,Si@C60 or Ge@C60 fullerene molecule-Au electrode systems.Results show that,due to the intervention of Au electrodes,the electronic structures of the C60,Si@C60 and Ge@C60 fullerene molecules are changed significantly,the coalescent between C60,Si@C60 or Ge@C60 fullerene molecule and Au electrodes includes covalent bond and electrovalent bond,and the conductivities of the three electrode-fullerene molecule-Au electrode systems conform to the order of Ge@C60>Si@C60>C60. |
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| Keywords: | C60 fullerene extend Hückel method Green's function electronic structure electronic transmission |
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