Ferromagnetic coupling and magnetic anisotropy in molecular Ni(II) squares

We investigated the magnetic properties of two isostructural Ni(II) metal complexes [Ni4Lb8] and [Ni4Lc8]. In each molecule the four Ni(II) centers form almost perfect regular squares. Magnetic coupling and anisotropy of single crystals were examined by magnetization measurements and in particular by high-field torque magnetometry at low temperatures. The data were analyzed in terms of an effective spin Hamiltonian appropriate for Ni(II) centers. For both compounds, we found a weak intramolecular ferromagnetic coupling of the four Ni(II) spins and sizable single-ion anisotropies of the easy-axis type. The coupling strengths are roughly identical for both compounds, whereas the zero-field-splitting parameters are significantly different. Possible reasons for this observation are discussed.Comment: 7 pages, 7 figure

Field dependent anisotropy change in a supramolecular Mn(II)-[3x3] grid

The magnetic anisotropy of a novel Mn(II)-[3x3] grid complex was investigated by means of high-field torque magnetometry. Torque vs. field curves at low temperatures demonstrate a ground state with S > 0 and exhibit a torque step due to a field induced level-crossing at B* \approx 7.5 T, accompanied by an abrupt change of magnetic anisotropy from easy-axis to hard-axis type. These observations are discussed in terms of a spin Hamiltonian formalism.Comment: 4 pages, 4 figures, to be published in Phys. Rev. Let

Quantum tunneling of the Neel vector in antiferromagnetic [3 x 3] grid molecules

Based on numerical calculations it is shown that the antiferromagnetic grid molecule Mn-[3 x 3] is a very promising candidate to experimentally detect the phenomenon of quantum tunneling of the Neel vector.Comment: 4 pages, 3 figures, REVTEX 4, to appear in PR

Quantum dynamics of the Neel vector in the antiferromagnetic molecular wheel CsFe8

The inelastic neutron scattering (INS) spectrum is studied for the antiferromagnetic molecular wheel CsFe8, in the temperature range 2 - 60 K, and for transfer energies up 3.6 meV. A qualitative analysis shows that the observed peaks correspond to the transitions between the L-band states, from the ground state up to the S = 5 multiplet. For a quantitative analysis, the wheel is described by a microscopic spin Hamiltonian (SH), which includes the nearest-neighbor Heisenberg exchange interactions and uniaxial easy-axis single-ion anisotropy, characterized by the constants J and D, respectively. For a best-fit determination of J and D, the L band is modeled by an effective SH, and the effective SH concept extended such as to facilitate an accurate calculation of INS scattering intensities, overcoming difficulties with the dimension of the Hilbert space. The low-energy magnetism in CsFe8 is excellently described by the generic SH used. The two lowest states are characterized by a tunneling of the Neel vector, as found previously, while the higher-lying states are well described as rotational modes of the Neel vector.Comment: 12 pages, 10 figures, REVTEX4, to appear in PR

Q-dependence of the inelastic neutron scattering cross section for molecular spin clusters with high molecular symmetry

For powder samples of polynuclear metal complexes the dependence of the inelastic neutron scattering intensity on the momentum transfer Q is known to be described by a combination of so called interference terms. They reflect the interplay between the geometrical structure of the compound and the spatial properties of the wave functions involved in the transition. In this work, it is shown that the Q-dependence is strongly interrelated with the molecular symmetry of molecular nanomagnets, and, if the molecular symmetry is high enough, is actually completely determined by it. A general formalism connecting spatial symmetry and interference terms is developed. The arguments are detailed for cyclic spin clusters, as experimentally realized by e.g. the octanuclear molecular wheel Cr8, and the star like tetranuclear cluster Fe4.Comment: 8 pages, 1 figures, REVTEX

Comment on "Bounding and approximating parabolas for the spectrum of Heisenberg spin systems" by Schmidt, Schnack and Luban

Recently, Schmidt et al. proved that the energy spectrum of a Heisenberg spin system (HSS) is bounded by two parabolas, i.e. lines which depend on the total spin quantum number S as S(S+1). The prove holds for homonuclear HSSs which fulfill a weak homogenity condition. Moreover, the extremal values of the exact spectrum of various HSS which were studied numerically were found to lie on approximate parabolas, named rotational bands, which could be obtained by a shift of the boundary parabolas. In view of this, it has been claimed that the rotational band structure (RBS) of the energy spectrum is a general behavior of HSSs. Furthermore, since the approximate parabolas are very close to the true boundaries of the spectrum for the examples discussed, it has been claimed that the methods allow to predict the detailed shape of the spectrum and related properties for a general HSS. In this comment I will show by means of examples that the RBS hypothesis is not valid for general HSSs. In particular, weak homogenity is neither a necessary nor a sufficient condition for a HSS to exhibit a spectrum with RBS.Comment: Comments on the work of Schmidt et al, Europhys. Lett. 55, 105 (2001), cond-mat/0101228 (for the reply see cond-mat/0111581). To be published in Europhys. Let