paper

Noncollinear cluster magnetism in the framework of the Hubbard model

arXiv:cond-mat/9903296 · doi:10.1103/PhysRevB.60.6121

Abstract

Noncollinear magnetic states in clusters are studied by using the single-band Hubbard Hamiltonian. The unrestricted Hartree-Fock (UHF) approximation is considered without imposing any symmetry constraints neither to the size or orientation of the local magnetic moments nor to the local charge densities . A variety of qualitatively different selfconsistent solutions is obtained as a function of cluster size, structure, number of valence electrons and Coulomb interaction strength . This includes inhomogeneous density distributions, paramagnetic solutions, magnetic solutions with collinear moments and noncollinear spin arrangements that show complex antiferromagnetic and ferromagnetic-like orders. The environment dependence of the magnetic properties is analyzed giving emphasis to the effects of antiferromagnetic frustrations in compact structures close to half-band filling. Electron correlation effects are quantified by comparing UHF and exact results for the local magnetic moments, total spin, spin-correlation functions and structural stability of 13-atom clusters. Goals and limitations of the present noncollinear approach are discussed.

Latex, two-colums 13 pages, 9 figures

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