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Origin and evaluation of the four-spin operators in magnetic lattices

 

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Opened Access Origin and evaluation of the four-spin operators in magnetic lattices
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Author: Calzado, C.J.
Malrieu, J.P.
Department: Universidad de Sevilla. Departamento de Química Física
Date: 2004
Published in: Physical Review B - Condensed Matter and Materials Physics, 69 (9), 944351-9443511.
Document type: Article
Abstract: 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
Cite: Calzado, C.J. 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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URI: http://hdl.handle.net/11441/48184

DOI: 10.1103/PhysRevB.69.094435

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