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  Pade approximations for the magnetic susceptibilities of Heisenberg antiferromagnetic spin chains for various spin values

Law, J. M., Benner, H., & Kremer, R. K. (2013). Pade approximations for the magnetic susceptibilities of Heisenberg antiferromagnetic spin chains for various spin values. Journal of Physics: Condensed Matter, 25(6): 065601.

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 Creators:
Law, J. M., Author
Benner, H., Author
Kremer, R. K.1, Author           
Affiliations:
1Former Scientific Facilities, Max Planck Institute for Solid State Research, Max Planck Society, ou_3370501              

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 Abstract: The temperature dependence of the spin susceptibilities of S = 1, 3/2, 2, 5/2 and 7/2 Heisenberg antiferromagnetic 1D spins chains with nearest-neighbor coupling was simulated via quantum Monte Carlo calculations, within the reduced temperature range of 0.005 <= T* <= 100, and fitted to a Pade approximation with deviations between the simulated and fitted data of the same order of magnitude as or smaller than the quantum Monte Carlo simulation error. To demonstrate the practicality of our theoretical findings, we compare these results with the susceptibility of the well known 1D chain compound TMMC ([(CH3)(4)N[MnCl3]], d(5), S = 5/2) and find that different intra-chain spin-exchange parameters result if we consider the data above and below the structural phase transition reported for TMMC at similar to 126 K. The structural phase transition, which gives rise to an anomaly in the magnetic susceptibility, is independent of the magnetic field up to magnetic fields of 7 T. Additionally, we show that the S = 1 system NiTa2O6 with tri-rutile crystal structure can be very well described as a Heisenberg S = 1 spin chain.

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Language(s): eng - English
 Dates: 2013
 Publication Status: Issued
 Pages: -
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 Table of Contents: -
 Rev. Type: Internal
 Identifiers: eDoc: 672205
ISI: 000313950600010
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Title: Journal of Physics: Condensed Matter
Source Genre: Journal
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Pages: - Volume / Issue: 25 (6) Sequence Number: 065601 Start / End Page: - Identifier: ISSN: 0953-8984