title: Alternative approach to computing transport coefficients: application to conductivity and Hall coefficient of hydrogenated amorphous silicon.
abstract: We introduce a theoretical framework for computing transport coefficients for complex materials with extended states, and defect or band-tail states originating from static topological disorder. 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 polyaniline. The method may be readily integrated with current ab initio methods.
authors.affiliation: Department of Physics and Astronomy, Ohio University, Athens, Ohio 45701, USA.
authors.forename: Ming-Liang
authors.initials: ML
authors.lastname: Zhang
authors.forename: D A
authors.initials: DA
authors.lastname: Drabold