All Title Author
Keywords Abstract

Physics  2007 

Ab initio estimate of temperature dependence of electrical conductivity in a model amorphous material: hydrogenated amorphous silicon

DOI: 10.1103/PhysRevB.76.045212

Full-Text   Cite this paper   Add to My Lib


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.


comments powered by Disqus

Contact Us


微信:OALib Journal