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arXiv 0804.2365cond-mat.mes-hallcond-mat.mtrl-sci
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用波包传播研究电子输运中的非弹性效应

Inelastic effects in electron transport studied with wave packet propagation

S. Monturet, N. Lorente

摘要:

用含时方法研究了电子输运过程中的非弹性效应。我们研究一个紧束缚链与一个和两个网站连接到振动。这个简单但透明的模型提供了关于非弹性效应的见解,它们的含义以及目前用于处理它们的近似值。我们的含时方法允许我们追溯振动激发和电子干涉的时间序列,ibrationally引入的时间延迟和电子相移。我们探索了一个完整的范围内的参数,从弱到强的电子振动耦合,从隧穿接触,从一个振动的描述,包括所有的振动的需要,正确的描述在运输中的非弹性效应。我们探讨了单站点共振模型的有效性,以及其扩展到更多的网站,通过分子轨道和条件下,多轨道,多振动的描述不能被简化。我们解释的物理意义的光谱特征的二阶导数的电子电流相对于偏置电压。这使我们能够对峰谷能量值的含义进行细微的区分。最后,我们表明,有限带效应导致电子背散射的分子振动的制度中的高电导,虽然在振动阈值的电导下降,而是由于振动态密度的快速变化。

英文摘要:

A time-dependent approach is used to explore inelastic effects during electron transport through few-level systems. We study a tight-binding chain with one and two sites connected to vibrations. This simple but transparent model gives insight about inelastic effects, their meaning and the approximations currently used to treat them. Our time-dependent approach allows us to trace back the time sequence of vibrational excitation and electronic interference, the ibrationally introduced time delay and the electronic phase shift. We explore a full range of parameters going from weak to strong electron-vibration coupling, from tunneling to contact, from one-vibration description to the need of including all vibrations for a correct description of inelastic effects in transport. We explore the validity of single-site resonant models as well as its extension to more sites via molecular orbitals and the conditions under which multi-orbital, multi-vibrational descriptions cannot be simplified. We explain the physical meaning of the spectral features in the second derivative of the electron current with respect to the bias voltage. This permits us to nuance the meaning of the energy value of dips and peaks. Finally, we show that finite-band effects lead to electron back-scattering off the molecular vibrations in the regime of high-conductance, although the drop in conductance at the vibrational threshold is rather due to the rapid variation of the vibronic density of states.

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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