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Local Theory of Disordered Systems.

W H Butler1, W Kohn1

  • 1Department of Physics, University of California, San Diego, La Jolla, California.

Journal of Research of the National Bureau of Standards. Section A, Physics and Chemistry
|June 12, 2020
PubMed
Summary
This summary is machine-generated.

This study introduces a new method for analyzing disordered systems by averaging microscopic properties. This approach offers exponentially small errors, making it practical for studying highly disordered materials.

Keywords:
Binary alloysdensity of statesdisordered systemsperiodically continued neighborhood

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Area of Science:

  • Condensed Matter Physics
  • Materials Science
  • Computational Physics

Background:

  • Crystalline solids exhibit periodicity, naturally described in momentum space.
  • Disordered systems lack periodicity, making momentum space descriptions less intuitive.
  • Physical properties in disordered systems become localized, suggesting neighborhood-based analysis.

Purpose of the Study:

  • To develop a theoretical framework for analyzing macroscopic disordered systems using microscopic averages.
  • To investigate the electronic density of states in noninteracting electrons scattered by disordered centers.
  • To address and overcome inherent errors in neighborhood averaging methods.

Main Methods:

  • Averaging properties over small microscopic neighborhoods in coordinate space.
  • Focusing on noninteracting electrons in a field of disordered scattering centers.
  • Employing statistical mechanics for scatterers and periodic repetition of neighborhoods to control errors.

Main Results:

  • Identified two classes of errors (d/L and 1/N) that are too large for practical use.
  • Developed a method to avoid these errors through advanced statistical mechanics and periodic repetition.
  • Achieved exponentially small remaining errors, dependent on the ratio of neighborhood size to characteristic lengths (e.g., mean free path).

Conclusions:

  • The small neighborhood averaging theory provides a practical and accurate method for studying disordered systems.
  • The exponential convergence makes this approach particularly useful for highly disordered materials.
  • Numerical examples demonstrate the validity and applicability of the developed method.