arXivDaily arXiv每日学术速递 周一至周五更新
arXiv 1506.01397cond-mat.mes-hall
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多层二维晶体结的电子电阻

Electronic resistances of multilayered two-dimensional crystal junctions

Yun-Peng Wang, X. -G. Zhang, J. N. Fry, Hai-Ping Cheng

摘要:

我们进行了逐层的调查,以了解电子输运跨越金属绝缘体金属结。采用第一性原理密度泛函理论,在广义梯度近似下,研究了结的界面结构。我们发现,作为一个功能的晶体层的数量计算的多层硅烯结的传输系数衰减慢得多,比BN为基础的结。我们重新审视了电子输运的半经典玻尔兹曼理论,并应用到多层硅烯和BN为基础的结。在高透射率区的计算电阻小于由Landauer公式提供的电阻。随着势垒厚度的增加,玻尔兹曼公式和朗道公式的结果趋于一致。我们提供了一个上限的透射系数低于该值,Landauer方法变得有效。定量地,当传输系数低于每个通道的$ \sim 0.05 $时,由用于计算电阻的Landauer公式引入的误差可以忽略。此外,我们发现结的电阻并不完全由平均透射率决定,还与第一布里渊区的透射率分布有关。

英文摘要:

We carry out a layer-by-layer investigation to understand electron transport across metal-insulator-metal junctions. Interfacial structures of junctions were studied and characterized using first-principles density functional theory within the generalized gradient approximation. We found that as a function of the number of crystal layers the calculated transmission coefficients of multilayer silicene junctions decay much slower than for BN-based junctions We revisited the semiclassical Boltzmann theory of electronic transport and applied to multilayer silicene and BN-based junctions. The calculated resistance in the high-transmission regime is smaller than that provided by the Landauer formula. As the thickness of the barrier increases, results from the Boltzmann and the Landauer formulae converge. We provide a upper limit in the transmission coefficient below which, the Landauer method becomes valid. Quantitatively, when the transmission coefficient is lower than $ \sim 0.05 $ per channel, the error introduced by the Landauer formula for calculating the resistance is negligible. In addition, we found that the resistance of a junction is not entirely determined by the averaged transmission, but also by the distribution of the transmission over the first Brillouin zone.

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