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- W1974673416 abstract "We present an ab initio calculation of the dc conductivity of amorphous silicon and hydrogenated amorphous silicon. The Kubo-Greenwood formula is used to obtain the dc conductivity, by thermal averaging over extended dynamical simulation. Its application to disordered solids is discussed. The conductivity is computed for a wide range of temperatures and doping is explored in a naive way by shifting the Fermi level. We observed the Meyer-Neldel rule for the electrical conductivity with ${E}_{mathrm{MNR}}=0.06phantom{rule{0.3em}{0ex}}mathrm{eV}$ and a temperature coefficient of resistance close to experiment for $atext{ensuremath{-}}mathrm{Si}:mathrm{H}$. In general, experimental trends are reproduced by these calculations, and this suggests the possible utility of the approach for modeling carrier transport in other disordered systems." @default.
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- W1974673416 date "2007-07-16" @default.
- W1974673416 modified "2023-09-23" @default.
- W1974673416 title "<i>Ab initio</i>estimate of temperature dependence of electrical conductivity in a model amorphous material: Hydrogenated amorphous silicon" @default.
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- W1974673416 doi "https://doi.org/10.1103/physrevb.76.045212" @default.
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