Can large magnetic anisotropy and high spin really coexist?

ORAL

Abstract

This theoretical study discusses the interplay of the magnetic anisotropy and magnetic exchange interaction of two Mn$_6$ complexes. Our results for two polynuclear Mn$_6$ complexes show a very strong dependence of the D value on the spin of the ground state while the energy barriers are practically constant. Thus, complex 2 with a large spin (S = 12) favoured by ferromagnetic interactions has a small D value, while the lower spin complex 1 (S = 4) has a large D value. Therefor we suggest, that a large magnetic anisotropy is not favoured by a high spin state of the ground state.\\ E.Ruiz et al. Chem. Comm. 2008, DOI: 10.1039/b714715e

*C.L. and J.K. would like to thank the DAAD and DFG for financial support within the SPP 1137.

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Authors

  • Claudia Loose

    • Institute for theoretical Physics, TU Bergakademie Freiberg, Leipziger Str. 23, D-09599 Freiberg, Germany

  • Eliseo Ruiz

    • Departament de Quimica Inorganica and Institut de Recerca de Quimica Teorica i Computacional, Universitat de Barcelona, Diagonal 647,08028

  • Jordi Cirera

    • Departament de Quimica Inorganica and Institut de Recerca de Quimica Teorica i Computacional, Universitat de Barcelona, Diagonal 647,08028

  • Joan Cano

    • Departament de Quimica Inorganica and Institut de Recerca de Quimica Teorica i Computacional, Universitat de Barcelona, Diagonal 647,08028

  • Santiago Alvarez

    • Departament de Quimica Inorganica and Institut de Recerca de Quimica Teorica i Computacional, Universitat de Barcelona, Diagonal 647,08028

  • Jens Kortus

    • Institute for theoretical Physics, TU Bergakademie Freiberg, Leipziger Str. 23, D-09599 Freiberg, Germany