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

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 Y2BaNi1-xMgxO5. 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 interchain couplings, we still find well defined peaks in the calculated NMR spectra corresponding to the S=1/2 chain end excitations. At low temperatures, interchain couplings could become important, resulting in a more complicated phase.