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Title: Invariant exchange perturbation theory for multicenter systems and its application to the calculation of magnetic chains in manganites

The formalism of exchange perturbation theory is presented with regard to the general principles of constructing an antisymmetric vector with the use of the Young diagrams and tableaux in which the coordinate and spin parts are not separated. The form of the energy and wave function corrections coincides with earlier obtained expressions, which are reduced in the present paper to a simpler form of a symmetry-adapted perturbation operator, which preserves all intercenter exchange contributions. The exchange perturbation theory (EPT) formalism itself is presented in the standard form of invariant perturbation theory that takes into account intercenter electron permutations between overlapping nonorthogonal states. As an example of application of the formalism of invariant perturbation theory, we consider the magnetic properties of perovskite manganites La{sub 1/3}Ca{sub 2/3}MnO{sub 3} that are associated with the charge and spin ordering in magnetic chains of manganese. We try to interpret the experimental results obtained from the study of the effect of doping the above alloys by the model of superexchange interaction in manganite chains that is constructed on the basis of the exchange perturbation theory (EPT) formalism. The model proposed makes it possible to carry out a quantitative analysis of the effect of substitution of manganesemore » atoms by doping elements with different electron configurations on the electronic structure and short-range order in a magnetic chain of manganites.« less
Authors:
; ;  [1]
  1. St. Petersburg State Technical University (Russian Federation)
Publication Date:
OSTI Identifier:
22210402
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Experimental and Theoretical Physics; Journal Volume: 117; Journal Issue: 4; Other Information: Copyright (c) 2013 Pleiades Publishing, Inc.; http://www.springer-ny.com; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; ATOMS; CHAINS; ELECTRONIC STRUCTURE; ELECTRONS; MAGNETIC PROPERTIES; MANGANESE; MANGANESE ALLOYS; PEROVSKITE; PERTURBATION THEORY; SPIN; VECTORS; YOUNG DIAGRAM