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双金属铁磁耦合链状化合物MnNi(NO)(en)(en = 乙二胺)比热的数值链间平均场理论

Numerical Interchain Mean-Field Theory for the Specific Heat of the Bimetallic Ferromagnetically Coupled Chain Compound MnNi(NO)(en) (en = Ethylenediamine).

作者信息

Honecker Andreas, Brenig Wolfram, Tiwari Maheshwor, Feyerherm Ralf, Bleckmann Matthias, Süllow Stefan

机构信息

Laboratoire de Physique Théorique et Modélisation, CNRS UMR 8089, CY Cergy Paris Université, 95302 Cergy-Pontoise, France.

Institut für Theoretische Physik, TU Braunschweig, 38106 Braunschweig, Germany.

出版信息

Molecules. 2022 Oct 3;27(19):6546. doi: 10.3390/molecules27196546.

Abstract

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 TN=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.

摘要

我们对双金属铁磁耦合链化合物MnNi(NO2)4(en)2(en = 乙二胺)的场依赖比热进行了详细研究。对于这种在零场下低于TN = 2.45 K时反铁磁有序的材料,小磁场会抑制磁有序。相反,在这样的磁场中,比热的温度依赖性中会观察到双峰状结构。我们将这种行为归因于由于每个晶胞中存在两种不同的自旋,在自旋波色散中存在声学和光学模式。我们将实验数据与通过精确对角化和量子蒙特卡罗模拟得到的交替自旋链模型的比热数值结果进行比较,使用从磁化率的高温行为推导出来的参数。链间耦合在数值处理中包含在平均场水平。我们观察到实验和理论之间有显著的一致性,包括有序转变,使用先前确定的参数。此外,观察到的外加磁场对MnNi(NO2)4(en)2有序态的强烈影响预示着有趣的磁热性质。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c35d/9572235/7ac3f632e040/molecules-27-06546-g0A1.jpg

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