Abstract
A powerful new technique is presented by means of which the density of electronic states can be realistically calculated for a wide variety of disordered systems. The theory is based on partitioning the density of states into contributions associated with each atom’s environment and on a parametric description of local atomic arrangements. Each contribution is approximated as a function of the local parameters and is linked to those from neighboring atoms by correlations between the respective sets of parameter values. Using a tetrahedrally-bonded amorphous semiconductor as an example, it is shown that the method is computationally tractable and gives realistic densities of states.
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Hayes, T.M., Beeby, J.L. (1985). A Technique for Calculating the Density of Electronic States of Disordered Materials. In: Adler, D., Fritzsche, H. (eds) Tetrahedrally-Bonded Amorphous Semiconductors. Institute for Amorphous Studies Series. Springer, Boston, MA. https://doi.org/10.1007/978-1-4899-5361-2_22
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DOI: https://doi.org/10.1007/978-1-4899-5361-2_22
Publisher Name: Springer, Boston, MA
Print ISBN: 978-1-4899-5363-6
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