Magnetic characteristics and magnetocaloric effect of polyphenylene dendrimer bilayers: RKKY exchange interactions with a variety of non-magnetic layers

IF 3.1 3区材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY

Computational Materials Science Pub Date : 2024-09-06 DOI:10.1016/j.commatsci.2024.113338

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Abstract

In the present article, Monte Carlo simulations were used to investigate the magnetic properties and magnetocaloric effetc of Polyphenylene Dendrimers bilayers under the Ruderman-Kittel-Kasuya-Yosida exchange interactions, considering mixed spins S = 5/2 and σ = 2. The phases of the ground state at zero temperature are explained in more detail. Additionally, we analyze the effects of varying the number of non-magnetic layers (NML), reduced exchange interactions between the two first nearest neighbors of spins S-S (R_SS), between spins σ-σ (R_σσ), and reduced crystal field (d) on the total magnetization and hysteresis loops. Besides, the parameters NML, R_SS, R_σσ, and d were varied to determine the reduced critical temperature. The impact of different reduced external magnetic fields (h/J_Sσ) on specific heat, magnetic entropy changes, and adiabatic temperature changes was studied as functions of reduced temperature. Finally, we have examined the relative cooling power (RCP) for several parameters h/J_Sσ.

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聚苯树枝状聚合物双层膜的磁特性和磁致效应：与各种非磁层的 RKKY 交换相互作用

本文采用蒙特卡洛模拟法研究了 Ruderman-Kittel-Kasuya-Yosida 交换相互作用下聚苯乙烯树枝状聚合物双层膜的磁性能和磁致效应，并考虑了混合自旋 S = 5/2 和 σ = 2。我们更详细地解释了零温时的基态相位。此外，我们还分析了改变非磁性层数（NML）、降低自旋 S-S 的两个第一近邻之间的交换相互作用（RSS）、自旋 σ-σ 之间的交换相互作用（Rσσ）以及降低晶体场（d）对总磁化和磁滞回线的影响。此外，通过改变参数 NML、RSS、Rσσ 和 d 来确定还原临界温度。作为还原温度的函数，我们研究了不同的还原外磁场 (h/JSσ) 对比热、磁熵变化和绝热温度变化的影响。最后，我们研究了几个参数 h/JSσ 的相对冷却功率 (RCP)。

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来源期刊

Computational Materials Science 工程技术-材料科学：综合

CiteScore

6.50

自引率

6.10%

发文量

665

审稿时长

26 days

期刊介绍： The goal of Computational Materials Science is to report on results that provide new or unique insights into, or significantly expand our understanding of, the properties of materials or phenomena associated with their design, synthesis, processing, characterization, and utilization. To be relevant to the journal, the results should be applied or applicable to specific material systems that are discussed within the submission.

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