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Locally Self-Consistent Green’s Function Method and Its Application in the Theory of Random Alloys

  • I. A. Abrikosov
  • P. A. Korzhavyi
  • B. Johansson
Conference paper
Part of the Lecture Notes in Physics book series (LNP, volume 535)

Abstract

A formulation of the order-N locally self-consistent Green’s function, LSGF, method in conjunction with the linear muffin-tin orbital (LMTO) basis set is discussed. The method is particularly suitable for calculating the electronic structure of systems with an arbitrary distribution of atoms of different kinds on an underlying crystal lattice. We showthat in the framework of the tight-binding representation it can be generalized to systems without ideal three-dimensional symmetry of the underlying lattice, like, for instance, alloys with local lattice relaxations or surface alloys. We also showthat multipole corrections to the atomic sphere approximation can be easily incorporated into the formalism. Thus, the method represents a powerful tool for studing different problems within alloy theory.

Keywords

Surface Alloy Dyson Equation Atomic Sphere Vacancy Formation Energy Underlying Lattice 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.

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Copyright information

© Springer-Verlag Berlin Heidelberg 1999

Authors and Affiliations

  • I. A. Abrikosov
    • 1
  • P. A. Korzhavyi
    • 1
  • B. Johansson
    • 1
  1. 1.Condensed Matter Theory Group, Physics DepartmentUppsala UniversityUppsalaSweden

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