Magnetization profiles and NMR spectra of doped Haldane chains at finite temperatures

Abstract

Open segments of S=1 antiferromagnetic spin chains are studied at finite temperatures and fields using continuous time Quantum Monte Carlo techniques. By calculating the resulting magnetization profiles for a large range of chain lengths with fixed field and temperature we reconstruct the experimentally measured NMR spectrum of impurity doped Y$_2$BaNi$_{1-x}$Mg$_x$O$_5$. For temperatures above the gap the calculated NMR spectra are in excellent agreement with the experimental results, confirming the existence of $S=1/2$ excitations at the end of open S=1 chain segments. At temperatures below the gap, neglecting inter chain couplings, we still find well defined peaks in the calculated NMR spectra corresponding to the $S=1/2$ chain end excitations. At low temperatures, inter chain couplings could be important, resulting in a more complicated phase.