A numerical exact diagonalization technique is worked out for the anisotropic Heisenberg spin Hamiltonian with ring geometry. It is applied in large-scale simulations to a dodecanuclear nickel ring yielding the low-level energy spectra as a function of the single-ion anisotropy D and the thermodynamic functions. The strenght of the constant D is estimated at D/kB = 1.5 K. The results for the zero-field susceptibility and the field-dependent magnetization are presented and compared with experimental data.

SIMULATIONS OF THE LOW-DIMENSIONAL MOLECULAR-BASED SPIN SYSTEMS: DODECANUCLEAR NICKEL RING

CARAMICO D'AURIA, ALVARO;ESPOSITO, FILIPPO;
2005

Abstract

A numerical exact diagonalization technique is worked out for the anisotropic Heisenberg spin Hamiltonian with ring geometry. It is applied in large-scale simulations to a dodecanuclear nickel ring yielding the low-level energy spectra as a function of the single-ion anisotropy D and the thermodynamic functions. The strenght of the constant D is estimated at D/kB = 1.5 K. The results for the zero-field susceptibility and the field-dependent magnetization are presented and compared with experimental data.
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Utilizza questo identificativo per citare o creare un link a questo documento: http://hdl.handle.net/11588/8985
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