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Energy of bond defects in quantum spin chains obtained from local approximations and from exact diagonalization

Authors
Journal
Journal of Magnetism and Magnetic Materials
0304-8853
Publisher
Elsevier
Publication Date
Keywords
  • Heisenberg Model
  • Magnetic Impurities
  • Bond Defects
  • Density-Functional Theory
  • Correlation Energy
Disciplines
  • Computer Science
  • Physics

Abstract

We study the influence of ferromagnetic and antiferromagnetic bond defects on the ground-state energy of antiferromagnetic spin chains. In the absence of translational invariance, the energy spectrum of the full Hamiltonian is obtained numerically, by an iterative modi. cation of the power algorithm. In parallel, approximate analytical energies are obtained from a local-bond approximation, proposed here. This approximation results in significant improvement upon the mean-field approximation, at negligible extra computational effort. (C) 2008 Published by Elsevier B.V.

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