Traveling-cluster approximation for uncorrelated amorphous systems

Asok K. Sen, Robert Mills, Theodore Kaplan, and L. J. Gray
Phys. Rev. B 30, 5686 – Published 15 November 1984
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Abstract

We have developed a formalism for including cluster effects in the one-electron Green's function for a positionally disordered (liquid or amorphous) system without any correlation among the scattering sites. This method is an extension of the technique known as the traveling-cluster approximation (TCA) originally obtained and applied to a substitutional alloy by Mills and Ratanavararaksa. We have also proved the appropriate fixed-point theorem, which guarantees, for a bounded local potential, that the self-consistent equations always converge upon iteration to a unique, Herglotz solution. To our knowledge, this is the only analytic theory for considering cluster effects. Furthermore, we have performed some computer calculations in the pair TCA, for the model case of δ-function potentials on a one-dimensional random chain. These results have been compared with "exact calculations" (which, in principle, take into account all cluster effects) and with the coherent-potential approximation (CPA), which is the single-site TCA. The density of states for the pair TCA clearly shows some improvement over the CPA and yet, apparently, the pair approximation distorts some of the features of the exact results.

  • Received 29 February 1984

DOI:https://doi.org/10.1103/PhysRevB.30.5686

©1984 American Physical Society

Authors & Affiliations

Asok K. Sen and Robert Mills

  • Department of Physics, The Ohio State University, Columbus, Ohio 43210

Theodore Kaplan

  • Solid State Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37830

L. J. Gray

  • Engineering Physics and Mathematics Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37830

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Vol. 30, Iss. 10 — 15 November 1984

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