Exploring the Electronic Structure and Magnetic Properties of Sm2MgMnO6 Double Perovskite

IF 2.1 4区材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY

Electronic Materials Letters Pub Date : 2024-08-01 DOI:10.1007/s13391-024-00512-0

Samarendra Nath Saha, Purna Chandra Barman, N. Bedamani Singh, Rajkumar Mondal, Sk. Anirban

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Abstract

In this article, we have investigated the electronic structure and magnetic properties of Sm₂MgMnO₆ prepared through auto-combustion method. The first principles of the density-functional theory have been applied to study of the electronic structure. The oxidation states of Mn and Mg are Mn³⁺/Mn⁴⁺ and Mg²⁺, respectively. The existence of Mn³⁺ is higher than Mn⁴⁺. The magnetic study reveals the sample shows ferromagnetic to paramagnetic transition at around 13.5 K which is followed by an antiferromagnetic ordering at 8.3 K. Antiferromagnetic and ferromagnetic ordering have been identified at 8.3 K and higher temperature, respectively. Sm₂MgMnO₆ shows a maximum magnetic entropy change of 1.25 J kg^-1K^-1 and relative cooling power of 86.9 J/kg for a field variation of 70 kOe near 25 K. The values are comparable to many double perovskites reported previously. This study highlights that Sm₂MgMnO₆ is a potential material for magnetocaloric refrigerant at low temperature.

Graphical Abstract

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探索 Sm2MgMnO6 双包晶石的电子结构和磁性能

本文研究了自燃法制备的 Sm2MgMnO6 的电子结构和磁性能。电子结构的研究应用了密度泛函理论的第一性原理。锰和镁的氧化态分别为 Mn3+/Mn4+ 和 Mg2+。Mn3+ 的存在高于 Mn4+。磁性研究显示，样品在 13.5 K 左右出现铁磁向顺磁转变，随后在 8.3 K 出现反铁磁有序。Sm2MgMnO6 在 25 K 附近的 70 kOe 磁场变化中显示出 1.25 J kg-1K-1 的最大磁熵变化和 86.9 J/kg 的相对冷却功率。这项研究表明，Sm2MgMnO6 是一种潜在的低温磁致制冷剂材料。

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来源期刊

Electronic Materials Letters 工程技术-材料科学：综合

CiteScore

4.70

自引率

20.80%

发文量

审稿时长

2.3 months

期刊介绍： Electronic Materials Letters is an official journal of the Korean Institute of Metals and Materials. It is a peer-reviewed international journal publishing print and online version. It covers all disciplines of research and technology in electronic materials. Emphasis is placed on science, engineering and applications of advanced materials, including electronic, magnetic, optical, organic, electrochemical, mechanical, and nanoscale materials. The aspects of synthesis and processing include thin films, nanostructures, self assembly, and bulk, all related to thermodynamics, kinetics and/or modeling.