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Finite size effects on transport coefficients for models of atomic wires coupled to phonons

机译:有限尺寸对声子耦合声子模型输运系数的影响

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摘要

We consider models of quasi-1-d, planar atomic wires consisting of several, laterally coupled rows of atoms, with mutually non-interacting electrons. This electronic wire system is coupled to phonons, corresponding, e.g., to some substrate. We aim at computing diffusion coefficients in dependence on the wire widths and the lateral coupling. To this end we firstly construct a numerically manageable linear collision term for the dynamics of the electronic occupation numbers by following a certain projection operator approach. By means of this collision term we set up a linear Boltzmann equation. A formula for extracting diffusion coefficients from such Boltzmann equations is given. We find in the regime of a few atomic rows and intermediate lateral coupling a significant and non-trivial dependence of the diffusion coefficient on both, the width and the lateral coupling. These results, in principle, suggest the possible applicability of such atomic wires as electronic devices, such as, e.g., switches.
机译:我们考虑准1-d平面原子线的模型,该原子线由几个横向耦合的原子行组成,这些原子行具有互不相互作用的电子。该电线系统耦合到例如对应于某些衬底的声子。我们旨在根据线宽和横向耦合来计算扩散系数。为此,我们首先通过遵循某种投影算子方法,为电子职业数的动力学构造一个数值可管理的线性碰撞项。通过该碰撞项,我们建立了线性玻尔兹曼方程。给出了从这种玻尔兹曼方程中提取扩散系数的公式。我们发现,在一些原子行和中间横向耦合的状态下,扩散系数对宽度和横向耦合都具有显着且非平凡的依赖性。这些结果原则上暗示了诸如电子设备之类的原子线如电子设备的可能适用性。

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