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中国物理学会期刊

表面等离极化激元对电荷输运影响的自洽场理论研究Ⅱ——MIM体系分子轨道场的计算与分析

CSTR: 32037.14.aps.54.2282

The self-consistent theoretical study of the effect of surface plasmon and polariton on electronic transport Ⅱ——The calculation and analysis of molecular orbital field in MIM system

CSTR: 32037.14.aps.54.2282
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  • 采用自洽场方法计算MIM体系在电场作用下分子场系数、态密度和局域电子态密度的变化.结果表明,分子场系数分布呈现弦函数形式;随电场增大,能带向深能量延伸并且能级峰间分离的更明显,以及构成电流通道的3dm群原子轨道交叠态的重叠量增大,提高 了电荷输运的能力.该分析为探讨SPP对电荷输运影响的建立奠定了基础.

     

    Adopting the self-consistent method to calculate the coefficient of molecular orbital (MO) field in a metal/insulator/metal (MIM) system under the effect of a static electric field, we obtain the result that the distribution of the MO coe fficient appears in the form of sine function. With increasing electric field, t he energy band shifts to the deep energy area, and the energy peaks separate fro m each other more evidently, and the overlap of hybrid states between the 3dm group atomic orbits constructing the current pass increases, which im prove s the power of charge transportation. This work provides the method for research ing the effect of surface plasmon and polariton on charge transportation.

     

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