Physics – Condensed Matter – Materials Science
Scientific paper
2007-05-16
Physics
Condensed Matter
Materials Science
9 pages, 8 figures, submitted to PRB Comments: corrected typos, referee's comments included
Scientific paper
10.1103/PhysRevB.76.045212
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_MNR = 0.06 eV and a temperature coefficient of resistance, TCR ~ -2.0% K^-1 for a-Si: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.
Abtew T. A.
Drabold David A.
Zhang Minghui
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