Alternative approach to computing transport coefficients: application to conductivity and Hall coefficient of hydrogenated amorphous silicon

M. -L. Zhang; D. A. Drabold

doi:10.1103/physrevlett.105.186602

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arXiv · 1006.3800

Alternative approach to computing transport coefficients: application to conductivity and Hall coefficient of hydrogenated amorphous silicon

M. -L. Zhang·D. A. Drabold

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Abstract

We introduce a theoretical framework for computing transport coefficients for complex materials. As a first example, we resolve long-standing inconsistencies between experiment and theory pertaining to the conductivity and Hall mobility for amorphous silicon and show that the Hall sign anomaly is a consequence of localized states. Next, we compute the AC conductivity of amorphous polyanaline. The formalism is applicable to complex materials involving defects and band-tail states originating from static topological disorder and extended states. The method may be readily integrated with current \textit{ab initio} methods.

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M. -L. Zhang, D. A. Drabold. 2010-08-29. Alternative approach to computing transport coefficients: application to conductivity and Hall coefficient of hydrogenated amorphous silicon. https://doi.org/10.1103/physrevlett.105.186602

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