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

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Electronic Structure and Physical Properies of Solids

Part of the book series: Lecture Notes in Physics ((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.

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Authors and Affiliations

  1. Condensed Matter Theory Group, Physics Department, Uppsala University, S-75121, Uppsala, Sweden

    I. A. Abrikosov, P. A. Korzhavyi & B. Johansson

Authors
  1. I. A. Abrikosov
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  2. P. A. Korzhavyi
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  3. B. Johansson
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Editors and Affiliations

  1. IPCMS-GEMME, 23 rue du Loess, BP 20 Cr, 67037, Strasbourg, France

    Hugues Dreyssé

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© 1999 Springer-Verlag Berlin Heidelberg

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Abrikosov, I.A., Korzhavyi, P.A., Johansson, B. (1999). Locally Self-Consistent Green’s Function Method and Its Application in the Theory of Random Alloys. In: Dreyssé, H. (eds) Electronic Structure and Physical Properies of Solids. Lecture Notes in Physics, vol 535. Springer, Berlin, Heidelberg. https://doi.org/10.1007/3-540-46437-9_11

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  • DOI: https://doi.org/10.1007/3-540-46437-9_11

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  • Print ISBN: 978-3-540-67238-8

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