Artículo
Origin and evaluation of the four-spin operators in magnetic lattices
Autor/es | Jiménez Calzado, Carmen
Malrieu, J.P. |
Departamento | Universidad de Sevilla. Departamento de Química Física |
Fecha de publicación | 2004 |
Fecha de depósito | 2016-10-26 |
Publicado en |
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Resumen | The four-spin operators are suspected to have a significant amplitude and an impact on the collective
properties in spin ladders and magnetic two-dimensional lattices. They originate from cyclic circulation of
electrons ... The four-spin operators are suspected to have a significant amplitude and an impact on the collective properties in spin ladders and magnetic two-dimensional lattices. They originate from cyclic circulation of electrons ~ring currents!. Starting from a simple Hubbard Hamiltonian one may establish their form from a fourth order expansion of quasidegenerate perturbation theory. This form slightly deviates from the generally assumed biquadratic expression. From a quantitative point of view, their amplitude can be assessed from accurate ab initio explicitly correlated wave functions and energies on embedded clusters. The present work shows that symmetry-broken density functional theory calculations may also provide estimates of the fourbody operator amplitudes, but reliable results require the use of a large Fock component in the exchange functional |
Cita | Jiménez Calzado, C. y Malrieu, J.P. (2004). Origin and evaluation of the four-spin operators in magnetic lattices. Physical Review B - Condensed Matter and Materials Physics, 69 (9), 944351-9443511. |
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