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

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

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

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

On representations of star product algebras over cotangent spaces on Hermitian line bundles

For every formal power series $B=B_0 + \lambda B_1 + O(\lambda^2)$ of closed two-forms on a manifold $Q$ and every value of an ordering parameter $\kappa\in [0,1]$ we construct a concrete star product $\star^B_\kappa$ on the cotangent bundle $\pi : T^*Q\to Q$. The star product $\star^B_\kappa$ is associated to the formal symplectic form on $T^*Q$ given by the sum of the canonical symplectic form $\omega$ and the pull-back of $B$ to $T^*Q$. Deligne's characteristic class of $\star^B_\kappa$ is calculated and shown to coincide with the formal de Rham cohomology class of $\pi^*B$ divided by \im\lambda. Therefore, every star product on $T^*Q$ corresponding to the Poisson bracket induced by the symplectic form $\omega + \pi^*B_0$ is equivalent to some $\star^B_kappa$. It turns out that every $\star^B_kappa$ is strongly closed. In this paper we also construct and classify explicitly formal representations of the deformed algebra as well as operator representations given by a certain global symbol calculus for pseudodifferential operators on $Q$. Moreover, we show that the latter operator representations induce the formal representations by a certain Taylor expansion. We thereby obtain a compact formula for the WKB expansion.Comment: LaTeX2e, 38 pages, slight generalization of Theorem 4.4, minor typos correcte

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

Inelastic neutron scattering study and Hubbard model description of the antiferromagnetic tetrahedral molecule Ni4Mo12

The tetrameric Ni(II) spin cluster Ni4Mo12 has been studied by INS. The data were analyzed extensively in terms of a very general spin Hamiltonian, which includes antiferromagnetic Heisenberg interactions, biquadratic 2-spin and 3-spin interactions, a single-ion magnetic anisotropy, and Dzyaloshinsky-Moriya interactions. Some of the experimentally observed features in the INS spectra could be reproduced, however, one feature at 1.65 meV resisted all efforts. This supports the conclusion that the spin Hamiltonian approach is not adequate to describe the magnetism in Ni4Mo12. The isotropic terms in the spin Hamiltonian can be obtained in a strong-coupling expansion of the Hubbard model at half-filling. Therefore detailed theoretical studies of the Hubbard model were undertaken, using analytical as well as numerical techniques. We carefully analyzed its abilities and restrictions in applications to molecular spin clusters. As a main result it was found that the Hubbard model is also unable to appropriately explain the magnetism in Ni4Mo12. Extensions of the model are also discussed.Comment: 12 pages, 12 figure

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