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首页> 外文期刊>Physical review. B, Condensed Matter And Materials Physics >Dephasing effects in molecular junction conduction: An analytical treatment
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Dephasing effects in molecular junction conduction: An analytical treatment

机译:分子连接传导中的相移效应:一种分析处理

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A Keldysh nonequilibrium Green's function approach is used in an analytic treatment of transport in oligo-meric molecular wire junctions in the presence of dephasing effects. Both the dephasing and molecule-electrode interactions are treated using the self-energy formalism, and limiting analytic forms are obtained for the current as a function of dephasing strength, length, injection energy, molecular hopping integral, and temperature. Dephasing due to the interaction between electrons and thermal phonons is investigated in detail, and we relate the phenomenological dephasing parameter to the inner-sphere reorganization energy. In the single-site limit, we observe transitions in the spectral function from Lorentzian to semicircular as the dephasing strength increases, while for the extended chain we observe both tunneling and hopping behavior. In the limit of strong dephasing, the overall resistance can be expressed as the sum of the contact resistance and a chain-length-dependent hopping term.
机译:在存在移相效应的情况下,Keldysh非平衡格林函数方法用于分析低聚分子线结中的转运。移相和分子电极相互作用都使用自能形式论进行处理,并且获得了电流的有限解析形式,该电流是移相强度,长度,注入能量,分子跳跃积分和温度的函数。详细研究了由于电子与热声子之间的相互作用而引起的相移,并将现象学相移参数与内球重组能联系起来。在单点极限中,随着相移强度的增加,我们观察到了频谱函数从洛伦兹到半圆形的过渡,而对于扩展链,我们观察到了隧穿和跳跃行为。在强相移的极限下,总电阻可以表示为接触电阻和取决于链长的跳变项的总和。

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