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arXiv 0905.0784cond-mat.mes-hall
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Al,Cu,Ag和Au中粗糙界面的电子输运计算

Electronic transport calculations for rough interfaces in Al, Cu, Ag, and Au

M. M. Fadlallah, C. Schuster, U. Schwingenschloegl, T. Wunderlich, S. Sanvito

摘要:

本文基于密度泛函理论和非平衡格林函数方法,对金属界面的电子结构和输运进行了计算。从光滑Al、Cu、Ag和Au界面的电子结构出发,研究了不同界面粗糙度对透射系数和I-V特性的影响。特别是,我们比较原型接口扭曲,包括空位和金属杂质。

英文摘要:

We present results of electronic structure and transport calculations for metallic interfaces, based on density functional theory and the non-equilibrium Green's functions method. Starting from the electronic structure of smooth Al, Cu, Ag, and Au interfaces, we study the effects of different kinds of interface roughness on the transmission coefficient and the I-V characteristic. In particular, we compare prototypical interface distortions, including vacancies and metallic impurities.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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