Artículo
First-principles periodic calculation of four-body spin terms in high-Tc cuprate superconductors
Autor/es | Moreira, I. P. R.
Jiménez Calzado, Carmen Malrieu, J.P. Illas, Francesc |
Departamento | Universidad de Sevilla. Departamento de Química Física |
Fecha de publicación | 2006 |
Fecha de depósito | 2016-10-26 |
Publicado en |
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Resumen | 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 ... 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 |
Cita | Moreira, I.P.R., Jiménez Calzado, C., Malrieu, J.P. y Illas, F. (2006). First-principles periodic calculation of four-body spin terms in high-Tc cuprate superconductors. Physical Review Letters, 97 (8), 087003-1-087003-4. |
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