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arXiv 1004.0404cond-mat.mes-hallcond-mat.stat-mech
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非晶半导体中声子驱动的输运:跃迁几率

Phonon driven transport in amorphous semiconductors: Transition probabilities

Ming-Liang Zhang, D. A. Drabold

摘要:

从Holstein关于小极化子跃迁的工作出发,系统地导出了非晶半导体在原子振动存在下局域态和扩展态的演化方程。的过渡概率得到的本地化和扩展状态的所有组合之间的过渡。对于任何涉及局域态的跃迁过程,活化能不仅仅是终态和初态之间的能量差,原子组态的重组能也是活化能的重要组成部分(Marcus形式)。局域态间跃迁的激活能随温度的升高而减小,并遵循Meyer-Neldel规则。预测的Meyer-Neldel温度与几种材料的观测结果一致。计算的电导率场依赖性与实验数据一致。本文的工作表明,变程跳跃的温度上限与声子谱第一峰的频率成正比。我们还改进了低温下光电流衰减的描述。从扩展态到局域态跃迁几率的分析表明,在导带或价带内存在一个短寿命的扩展态带。

英文摘要:

Starting from Holstein's work on small polaron hopping, the evolution equations for localized and extended states in the presence of atomic vibrations are systematically derived for an amorphous semiconductor. The transition probabilities are obtained for transitions between all combinations of localized and extended states. For any transition process involving a localized state, the activation energy is not simply the energy difference between the final and initial states; the reorganization energy of atomic configuration is also included as an important part of the activation energy (Marcus form). The activation energy for the transitions between localized states decreases with rising temperature and leads to the Meyer-Neldel rule. The predicted Meyer-Neldel temperatures are consistent with observations in several materials. The computed field-dependence of conductivity agrees with experimental data. The present work suggests that the upper temperature limit of variable range hopping is proportional to the frequency of first peak of phonon spectrum. We have also improved the description of the photocurrent decay at low temperatures. Analysis of the transition probability from an extended state to a localized state suggests that there exists a short-lifetime belt of extended states inside the conduction band or valence band.

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