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

# metadata.dc.description.abstract[].value
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.

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Articles publicats en revistes (Ciència dels Materials i Química Física)

# metadata.dc.title[].value
First-principles periodic calculation of four-body spin terms in high-Tc cuprate superconductors