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 Y₂BaNi_1-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.
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Alet et al. (2000) studied this question.
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