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Title: First-principles periodic calculation of four-body spin terms in high-Tc cuprate superconductors
Author: Moreira, Ibério de Pinho Ribeiro
Calzado, C. J.
Malrieu, J. P.
Illas i Riera, Francesc
Keywords: Superconductivitat
Propietats magnètiques
Estructura electrònica
Electronic structure of bulk materials
Magnetic properties and materials
Issue Date: 2006
Publisher: American Physical Society
Abstract: A general mapping between the energy of pertinent magnetic solutions and the diagonal terms of the spin Hamiltonian in a local representation provides the first general framework to extract accurate values for the many body terms of extended spin Hamiltonians from periodic first-principle calculations. Estimates of these terms for La2CuO4, the paradigm of high-Tc superconductor parent compounds, and for the SrCu2O3 ladder compound are reported. For La2CuO4, present results support experimental evidence by Toader et al. [Phys. Rev. Lett. 94, 197202 (2005)]. For SrCu2O3 even larger four-body spin amplitudes are found together with Jl/Jr=1 and non-negligible ferromagnetic interladder exchange.
Note: Reproducció digital del document proporcionada per PROLA i
It is part of: Physical Review Letters, 2006, vol. 97, núm. 8, p. 087003-1-087003-4
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ISSN: 0031-9007
Appears in Collections:Articles publicats en revistes (Ciència dels Materials i Química Física)

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