On-site magnetization in open antiferromagnetic chains: a classical analysis versus NMR experiments in a spin-1 compound

Abstract

The response of an open spin chain with isotropic antiferromagnetic interactions to a uniform magnetic field is studied by classical Monte Carlo simulations. It is observed how the induced on-site magnetization is non uniform, due to the occurrence of edge staggered terms which decay exponentially over a distance equal to the zero field correlation length of the infinite chain. The total magnetic moment associated to each staggered term is found to be about half of the original single-spin magnitude and to decrease as the inverse of temperature (i.e. to behave as a Curie-like moment). The numerical results are compared to recent NMR findings in spinless-doped Y(2)BaNiO(5); the remarkable agreement found shows that, for temperatures above the Haldane gap, the classical approach gives a correct picture of the boundary effects observed in the Heisenberg S=1 chain.