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首页> 外文期刊>Journal of Applied Physics >Quantum calculations of the carrier mobility: Methodology, Matthiessen's rule, and comparison with semi-classical approaches
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Quantum calculations of the carrier mobility: Methodology, Matthiessen's rule, and comparison with semi-classical approaches

机译：载流子迁移率的量子计算：方法论，马蒂森法则以及与半经典方法的比较

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摘要

We discuss carrier mobilities in the quantum Non-Equilibrium Green's Functions (NEGF) framework. We introduce a method for the extraction of the mobility that is free from contact resistance contamination and with minimal needs for ensemble averages. We focus on silicon thin films as an illustration, although the method can be applied to various materials such as semiconductor nanowires or carbon nanostructures. We then introduce a new paradigm for the definition of the partial mobility μ_M associated with a given elastic scattering mechanism "M," taking phonons (PH) as a reference (μ_M~(-1) = μ_((PH+M)~(-1)) - μ_(PH)~(-1)). We argue that this definition makes better sense in a quantum transport framework as it is free from long range interference effects that can appear in purely ballistic calculations. As a matter of fact, these mobilities satisfy Matthiessen's rule for three mechanisms [e.g., surface roughness (SR), remote Coulomb scattering (RCS) and phonons] much better than the usual, single mechanism calculations. We also discuss the problems raised by the long range spatial correlations in the RCS disorder. Finally, we compare semi-classical Kubo-Greenwood (KG) and quantum NEGF calculations. We show that KG and NEGF are in reasonable agreement for phonon and RCS, yet not for SR. We discuss the reasons for these discrepancies.
机译：我们在量子非平衡格林函数（NEGF）框架中讨论载流子迁移率。我们介绍了一种提取迁移率的方法，该方法不受接触电阻污染的影响，并且对总体平均值的需求最小。尽管该方法可以应用于各种材料，例如半导体纳米线或碳纳米结构，但我们以硅薄膜为例进行说明。然后，我们引入新的范式来定义与给定的弹性散射机制“ M”相关的部分迁移率μ_M，以声子（PH）为参考（μ_M〜（-1）=μ_（（PH + M）〜（ -1））-μ_（PH）〜（-1））。我们认为，这种定义在量子传输框架中更有意义，因为它没有纯弹道计算中可能出现的远距离干扰效应。实际上，这些迁移率满足Matthiessen的关于三种机理的规则[例如，表面粗糙度（SR），远程库仑散射（RCS）和声子]，比通常的单机理计算要好得多。我们还讨论了RCS障碍中远距离空间相关性引起的问题。最后，我们比较了半经典的Kubo-Greenwood（KG）和量子NEGF计算。我们表明，KG和NEGF对于声子和RCS具有合理的协议，而对于SR则没有。我们讨论了这些差异的原因。

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  • 来源
    《Journal of Applied Physics》 |2014年第5期|054512.1-054512.14|共14页
  • 作者

    Yann-Michel Niquet; Viet-Hung Nguyen; Francois Triozon; Ivan Duchemin; Olivier Nier; Denis Rideau;

  • 作者单位

    L_Sim, SP2M, UMR-E CEA/UJF-Grenoble 1, INAC, Grenoble, France;

    L_Sim, SP2M, UMR-E CEA/UJF-Grenoble 1, INAC, Grenoble, France;

    CEA, LETI-MINATEC, Grenoble, France;

    L_Sim, SP2M, UMR-E CEA/UJF-Grenoble 1, INAC, Grenoble, France;

    ST Microelectronics, Crolles, France;

    ST Microelectronics, Crolles, France;

  • 收录信息 美国《科学引文索引》(SCI);美国《工程索引》(EI);美国《生物学医学文摘》(MEDLINE);
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