arXiv subjects
Publications and source records attributed to P. Hage.
Numerically exact investigations of interacting spin systems provide a major tool for an understanding of their magnetic properties. For medium size systems the approximate Lanczos diagonalization is the most common method. In this article we suggest two improvements: efficient basis coding in subspaces and simple restructuring for openMP parallelization.
We have found a class of zero-dimensional geometrically frustrated Heisenberg spin systems exhibiting anomalous behavior in an external magnetic field B similar to that occuring in geometrically frustrated planar antiferromagnetic lattices. Our calculations for both the classical and quantum isotropic Heisenberg models show the emergence of a pronounced minimum in the differential susceptibility dM/dB at B_sat/3 as the temperature T is raised from 0K for structures based on corner-sharing triangles, specifically the octahedron, cuboctahedron, and icosidodecahedron. Low temperature measurements of magnetization M versus B for the giant Keplerate magnetic molecule Mo72Fe30 (Fe(3+) ions with spin s=5/2 on the 30 vertices of an icosidodecahedron) are consistent with our calculational results. The minimum in dM/dB is due to the fact that for low temperatures when B is approx. B_sat/3 there exist two competing families of spin configurations of which one behaves magnetically 'stiff' leading to a reduction of the susceptibility.
We suggest a general rule for the shift quantum numbers k of the relative ground states of antiferromagnetic Heisenberg spin rings. This rule generalizes well-known results of Marshall, Peierls, Lieb, Schultz, and Mattis for even rings. Our rule is confirmed by numerical investigations and rigorous proofs for special cases, including systems with a Haldane gap. Implications for the total spin quantum number S of relative ground states are discussed as well as generalizations to the XXZ model.