Neel probability and spin correlations in some nonmagnetic and nondegenerate states of hexanuclear antiferromagnetic ring Fe6: Application of algebraic combinatorics to finite Heisenberg spin systems

The spin correlations \omega^z_r, r=1,2,3, and the probability p_N$ of finding a system in the Neel state for the antiferromagnetic ring Fe(III)6 (the so-called `small ferric wheel') are calculated. States with magnetization M=0, total spin 0<=S<=15 and labeled by two (out of four) one-dimensional irreducible representations (irreps) of the point symmetry group D_6 are taken into account. This choice follows from importance of these irreps in analyzing low-lying states in each S-multiplet. Taking into account the Clebsch--Gordan coefficients for coupling total spins of sublattices (SA=SB=15/2) the global Neel probability p*_N can be determined. Dependencies of these quantities on state energy (per bond and in the units of exchange integral J) and the total spin S are analyzed. Providing we have determined p_N(S) etc. for other antiferromagnetic rings (Fe10, for instance) we could try to approximate results for the largest synthesized ferric wheel Fe18. Since thermodynamic properties of Fe6 have been investigated recently, in the present considerations they are not discussed, but only used to verify obtained values of eigenenergies. Numerical results re calculated with high precision using two main tools: (i) thorough analysis of symmetry properties including methods of algebraic combinatorics and (ii) multiple precision arithmetic library GMP. The system considered yields more than 45 thousands basic states (the so-called Ising configurations), but application of the method proposed reduces this problem to 20-dimensional eigenproblem for the ground state (S=0). The largest eigenproblem has to be solved for S=4; its dimension is 60. These two facts (high precision and small resultant eigenproblems) confirm efficiency and usefulness of such an approach, so it is briefly discussed here.Comment: 13 pages, 7 figs, 5 tabs, revtex

Application of Algebraic Combinatorics to Finite Spin Systems with Dihedral Symmetry

Properties of a given symmetry group G are very important in investigation of a physical system invariant under its action. In the case of finite spin systems (magnetic rings as Fe$\text{}_{6}$, Cu$\text{}_{6}$, Fe$\text{}_{10}$, some planar macromolecules as Fe$\text{}_{12}$ or Fe$\text{}_{8}$) the symmetry group is isomorphic with the dihedral group D$\text{}_{N}$. In this paper group-theoretical "parameters" of such groups are determined, especially decompositions of transitive representations into irreducible ones and double cosets. These results are necessary to construct matrix elements of any operator commuting with G in an efficient way. The approach proposed can be useful in many branches of physics, but here it is applied to finite spin systems, which serve as models for mesoscopic magnets