Publications Repository - Helmholtz-Zentrum Dresden-Rossendorf

The temperature dependence of the spin susceptibilities of S=1, 3/2, 2, 5/2 and 7/2 Heisenberg nearest-neighbor antiferromagnetic 1D spin chains was simulated via Quantum Monte Carlo calculations, within the temperature range of 0.005 ≤ T⋆ ≤ 100 and fitted to Padé approximations with deviations between the simulated and fitted data of the same order of magnitude or smaller than the Quantum Monte Carlo error. To demonstrate the practicality of our theoretical findings, we successfully compared them with the well known 1D chain compound TMMC (d⁵, S=5/2) and the new S=1 Heisenberg spin chain NiTa2O6.