Revealing effects of Co and Si co-doping on Ni-Mn-In Heusler alloy: Insights from first-principles calculations

IF 2.5 3区材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY

Journal of Magnetism and Magnetic Materials Pub Date : 2025-05-08 DOI:10.1016/j.jmmm.2025.173166

Dan Liu , Jianglong Gu , Jinyu Zhang , Jing Bai , Keliang Guo , Yu Zhang , Qingshuang Ma , Qiuzhi Gao , Liang Zuo

{"title":"Revealing effects of Co and Si co-doping on Ni-Mn-In Heusler alloy: Insights from first-principles calculations","authors":"Dan Liu , Jianglong Gu , Jinyu Zhang , Jing Bai , Keliang Guo , Yu Zhang , Qingshuang Ma , Qiuzhi Gao , Liang Zuo","doi":"10.1016/j.jmmm.2025.173166","DOIUrl":null,"url":null,"abstract":"<div><div>Magnetic cooling technology based on the magnetocaloric effect has attracted significant attention due to its high efficiency and environmental sustainability. In this work, a multi-element alloying strategy is proposed to meet the practical needs and provide theoretical support for the development of high-performance solid-state refrigeration materials. This study focuses on Ni-Mn-In-based Heusler alloy with large magnetocaloric effect, investigating the effects of Co and Si co-doping on martensite transformation as well as the magnetic and mechanical properties using first-principles calculations. The findings reveal that Si atoms preferentially occupy the sublattice of Mn, while Co and Si atoms exhibit a tendency for aggregated distribution within the Ni-Mn-In alloy. Si doping can significantly reduce the thermal hysteresis (Δ<em>T</em><sub>hys</sub>) of the alloy, while Co doping is helpful to improve the strength and magnetic properties. Overall, Co and Si co-doping can improve both the strength and toughness of the alloy. This work provides theoretical explanations for experimental phenomena and underlying mechanisms.</div></div>","PeriodicalId":366,"journal":{"name":"Journal of Magnetism and Magnetic Materials","volume":"628 ","pages":"Article 173166"},"PeriodicalIF":2.5000,"publicationDate":"2025-05-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Magnetism and Magnetic Materials","FirstCategoryId":"88","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0304885325003981","RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"MATERIALS SCIENCE, MULTIDISCIPLINARY","Score":null,"Total":0}

引用次数: 0

Abstract

Magnetic cooling technology based on the magnetocaloric effect has attracted significant attention due to its high efficiency and environmental sustainability. In this work, a multi-element alloying strategy is proposed to meet the practical needs and provide theoretical support for the development of high-performance solid-state refrigeration materials. This study focuses on Ni-Mn-In-based Heusler alloy with large magnetocaloric effect, investigating the effects of Co and Si co-doping on martensite transformation as well as the magnetic and mechanical properties using first-principles calculations. The findings reveal that Si atoms preferentially occupy the sublattice of Mn, while Co and Si atoms exhibit a tendency for aggregated distribution within the Ni-Mn-In alloy. Si doping can significantly reduce the thermal hysteresis (ΔT_hys) of the alloy, while Co doping is helpful to improve the strength and magnetic properties. Overall, Co and Si co-doping can improve both the strength and toughness of the alloy. This work provides theoretical explanations for experimental phenomena and underlying mechanisms.

查看原文本刊更多论文

揭示Co和Si共掺杂对Ni-Mn-In Heusler合金的影响：来自第一性原理计算的见解

基于磁热效应的磁冷却技术因其高效和环境可持续性而受到广泛关注。本文提出了一种满足实际需要的多元素合金化策略，为高性能固态制冷材料的发展提供理论支持。本研究以具有大磁热效应的ni - mn - in基Heusler合金为研究对象，采用第一性原理计算方法研究Co和Si共掺杂对马氏体相变以及磁性和力学性能的影响。结果表明，Si原子优先占据Mn的亚晶格，而Co和Si原子在Ni-Mn-In合金中呈现聚集分布的趋势。Si掺杂可以显著降低合金的热滞后（ΔThys），而Co掺杂有助于提高合金的强度和磁性能。总的来说，Co和Si共掺杂可以提高合金的强度和韧性。这项工作为实验现象和潜在机制提供了理论解释。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

求助全文

约1分钟内获得全文求助全文

来源期刊

Journal of Magnetism and Magnetic Materials 物理-材料科学：综合

CiteScore

5.30

自引率

11.10%

发文量

1149

审稿时长

59 days

期刊介绍： The Journal of Magnetism and Magnetic Materials provides an important forum for the disclosure and discussion of original contributions covering the whole spectrum of topics, from basic magnetism to the technology and applications of magnetic materials. The journal encourages greater interaction between the basic and applied sub-disciplines of magnetism with comprehensive review articles, in addition to full-length contributions. In addition, other categories of contributions are welcome, including Critical Focused issues, Current Perspectives and Outreach to the General Public. Main Categories: Full-length articles: Technically original research documents that report results of value to the communities that comprise the journal audience. The link between chemical, structural and microstructural properties on the one hand and magnetic properties on the other hand are encouraged. In addition to general topics covering all areas of magnetism and magnetic materials, the full-length articles also include three sub-sections, focusing on Nanomagnetism, Spintronics and Applications. The sub-section on Nanomagnetism contains articles on magnetic nanoparticles, nanowires, thin films, 2D materials and other nanoscale magnetic materials and their applications. The sub-section on Spintronics contains articles on magnetoresistance, magnetoimpedance, magneto-optical phenomena, Micro-Electro-Mechanical Systems (MEMS), and other topics related to spin current control and magneto-transport phenomena. The sub-section on Applications display papers that focus on applications of magnetic materials. The applications need to show a connection to magnetism. Review articles: Review articles organize, clarify, and summarize existing major works in the areas covered by the Journal and provide comprehensive citations to the full spectrum of relevant literature.