4.6 Article

Numerical Interchain Mean-Field Theory for the Specific Heat of the Bimetallic Ferromagnetically Coupled Chain Compound MnNi(NO2)4(en)2 (en = Ethylenediamine)

Journal

MOLECULES
Volume 27, Issue 19, Pages -

Publisher

MDPI
DOI: 10.3390/molecules27196546

Keywords

quantum spin chains; specific heat; quantum Monte Carlo simulations; exact diagonalization; mean-field theory

Funding

  1. CNRS via the International Research Network Strongly correlated electron systems as advanced magnetocaloric materials

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We present a detailed study on the field-dependent specific heat of the bimetallic ferromagnetically coupled chain compound MnNi(NO2)(4)(en)(2). In small magnetic fields, a double-peak-like structure in the temperature dependence of the specific heat is observed, which is attributed to the existence of two different spins per unit cell. The experimental data show remarkable agreement with theoretical simulations, and the applied magnetic field has a strong effect on the ordered state of the compound, suggesting interesting magnetocaloric properties.
We present a detailed study of the field-dependent specific heat of the bimetallic ferromagnetically coupled chain compound MnNi(NO2)(4) (en)(2), en = ethylenediamine. For this material, which in zero field orders antiferromagnetically below T-N = 2.45 K, small fields suppress magnetic order. Instead, in such fields, a double-peak-like structure in the temperature dependence of the specific heat is observed. We attribute this behavior to the existence of an acoustic and an optical mode in the spin-wave dispersion as a result of the existence of two different spins per unit cell. We compare our experimental data to numerical results for the specific heat obtained by exact diagonalization and Quantum Monte Carlo simulations for the alternating spin-chain model, using parameters that have been derived from the high-temperature behavior of the magnetic susceptibility. The interchain coupling is included in the numerical treatment at the mean-field level. We observe remarkable agreement between experiment and theory, including the ordering transition, using previously determined parameters. Furthermore, the observed strong effect of an applied magnetic field on the ordered state of MnNi(NO2)(4)(en)(2) promises interesting magnetocaloric properties.

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