| 单分子器件电子输运特性的理论研究 |
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| 引用本文： | 张毓敏.单分子器件电子输运特性的理论研究[J].科教文汇,2011(34):111-113. |
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| 作者姓名： | 张毓敏 |
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| 作者单位： | 南昌师范高等专科学校,江西南昌,330029 |
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| 摘 要： | 本文介绍了建立在杂化密度泛函理论基础上的研究单分子器件电子输运性质的弹性散射格林函数方法,从Mujica、Kemp和Ratner做出的开创性的工作出发,对一个由扩展分子连接两个电子库构成的分子结的电子输运特性进行理论上的研究,并最终给出一维和三维两种情况下电流以及电导的计算公式。
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| 关 键 词： | 杂化密度泛函理论 弹性散射格林函数 电子输运特性 |
A Theoretical Study on the Features of the Electron Transport of Monomolecular Device |
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| Authors: | Zhang Yumin |
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| Institution: | Zhang Yumin Nanchang Teachers College,330029,Nanchang,Jiangxi,China |
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| Abstract: | This paper introduces the Green function method of elastic potential scattering in studying the features of electron transport of monomolecular device based on hybrid density functional theory,and theoretically research into the features of electron transport from the creative work of Mujica,Kemp and Ratner, and finally proposes the calculation formula of current and conduction in one dimension and three dimension. |
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| Keywords: | hybrid density functional theory elastic potential scattering Green function the features of electron transport |
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