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DMRG approach to a molecular-based bimetallic chain containing Re(IV) and CU(II) ions.
Autorzy
Rok wydania
2010
Czasopismo
Numer woluminu
118
Strony
975-977
Kolekcja
Język
Angielski
Typ publikacji
Artykuł
The bimetallic chain complex [Cu(tren)]ReCl_6 is numerically analysed on the basis of the anisotropic quantum Heisenberg model without the mean-field corrections by the density-matrix renormalization group approach. The high accuracy results of our simulations have been fitted to the corresponding experimental susceptibility data above the crossover regime. The set of model parameters comprising the strength of antiferromagnetic couplings, the single-ion anisotropy term and the corresponding g factors have been found: J/k_{B} = 3.5 ± 0.5 K, D/k_{B} = 35 ± 5 K, g_{Cu} = 2.07 ± 0.05 and g_{Re} = 1.73 ± 0.01.
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Podobne publikacje
2014
Magnetic properties and molecular structure of a binuclear alternative bridged Cu(II)Re(IV) complex containing a macrocyclic ligand.
Bieńko Alina, Kruszyński Rafał, Bieńko Dariusz