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First-principles periodic calculation of four-body spin terms in high-Tc cuprate superconductors

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dc.creator Moreira, Ibério de Pinho Ribeiro
dc.creator Calzado, C. J.
dc.creator Malrieu, J. P.
dc.creator Illas i Riera, Francesc
dc.date 2010-07-05T09:23:17Z
dc.date 2010-07-05T09:23:17Z
dc.date 2006
dc.date.accessioned 2024-12-16T10:24:19Z
dc.date.available 2024-12-16T10:24:19Z
dc.identifier 0031-9007
dc.identifier http://hdl.handle.net/2445/13267
dc.identifier 548869
dc.identifier.uri http://fima-docencia.ub.edu:8080/xmlui/handle/123456789/17469
dc.description 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.
dc.format 4 p.
dc.format application/pdf
dc.language eng
dc.publisher American Physical Society
dc.relation Reproducció digital del document proporcionada per PROLA i http://dx.doi.org/10.1103/PhysRevLett.97.087003
dc.relation Physical Review Letters, 2006, vol. 97, núm. 8, p. 087003-1-087003-4
dc.relation http://dx.doi.org/10.1103/PhysRevLett.97.087003
dc.rights (c) American Physical Society, 2006
dc.rights info:eu-repo/semantics/openAccess
dc.source Articles publicats en revistes (Ciència dels Materials i Química Física)
dc.subject Superconductivitat
dc.subject Materials
dc.subject Propietats magnètiques
dc.subject Estructura electrònica
dc.subject Superconductivity
dc.subject Electronic structure of bulk materials
dc.subject Magnetic properties and materials
dc.title First-principles periodic calculation of four-body spin terms in high-Tc cuprate superconductors
dc.type info:eu-repo/semantics/article
dc.type info:eu-repo/semantics/publishedVersion


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