Shuvankar Gupta, Sudip Chakraborty, Celine Barreteau, Jean-Claude Crivello, Jean-Marc Greneche, Eric Alleno and Chandan Mazumdar
{"title":"重组无序:通过替换非磁性元素,从 Fe2VSi 中的反铁磁态转变为 FeRuVSi 中的铁磁态","authors":"Shuvankar Gupta, Sudip Chakraborty, Celine Barreteau, Jean-Claude Crivello, Jean-Marc Greneche, Eric Alleno and Chandan Mazumdar","doi":"10.1039/D4TC02267J","DOIUrl":null,"url":null,"abstract":"<p >The delicate nature of the half-metallic ferromagnetic (HMF) properties in Heusler alloys is often compromised by inherent structural disorder within the systems. Fe<small><sub>2</sub></small>VSi is a prime example, where such disorder prevents the realization of the theoretically proposed HMF state as the anti-site disorder leads to the formation of two anti-parallel magnetic lattices resulting in antiferromagnetic order. In this study, we propose an innovative and simple strategy to prevent this atomic disorder by replacing 50% of the magnetic element Fe by a large, isoelectronic, non-magnetic element: Ru. In this way, one of the magnetic sublattices of the antiferromagnetic lattice ceases to order while the ferromagnetic order is restored – an essential criterion for exhibiting HMF properties. Through various experimental measurements and theoretical calculations, we have shown that such partial replacement of Fe by Ru prevents the cross-site substitution of V/Si sites and the system regains its ferromagnetic order. Our theoretical calculations suggest that a perfect structural arrangement in Fe and Ru would have restored the HMF properties in FeRuVSi. However, the local atomic disorder of Fe and Ru was found to decrease the spin polarization value. The present work sheds light on the complex interplay between structural disorder and magnetic properties in Heusler alloys and provides insights for future design strategies in the pursuit of robust half-metallic ferromagnets.</p>","PeriodicalId":84,"journal":{"name":"Journal of Materials Chemistry C","volume":null,"pages":null},"PeriodicalIF":5.7000,"publicationDate":"2024-09-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Restructuring disorder: transformation from the antiferromagnetic order in Fe2VSi to the ferromagnetic state in FeRuVSi by substitution of a non-magnetic element\",\"authors\":\"Shuvankar Gupta, Sudip Chakraborty, Celine Barreteau, Jean-Claude Crivello, Jean-Marc Greneche, Eric Alleno and Chandan Mazumdar\",\"doi\":\"10.1039/D4TC02267J\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p >The delicate nature of the half-metallic ferromagnetic (HMF) properties in Heusler alloys is often compromised by inherent structural disorder within the systems. Fe<small><sub>2</sub></small>VSi is a prime example, where such disorder prevents the realization of the theoretically proposed HMF state as the anti-site disorder leads to the formation of two anti-parallel magnetic lattices resulting in antiferromagnetic order. In this study, we propose an innovative and simple strategy to prevent this atomic disorder by replacing 50% of the magnetic element Fe by a large, isoelectronic, non-magnetic element: Ru. In this way, one of the magnetic sublattices of the antiferromagnetic lattice ceases to order while the ferromagnetic order is restored – an essential criterion for exhibiting HMF properties. Through various experimental measurements and theoretical calculations, we have shown that such partial replacement of Fe by Ru prevents the cross-site substitution of V/Si sites and the system regains its ferromagnetic order. Our theoretical calculations suggest that a perfect structural arrangement in Fe and Ru would have restored the HMF properties in FeRuVSi. However, the local atomic disorder of Fe and Ru was found to decrease the spin polarization value. The present work sheds light on the complex interplay between structural disorder and magnetic properties in Heusler alloys and provides insights for future design strategies in the pursuit of robust half-metallic ferromagnets.</p>\",\"PeriodicalId\":84,\"journal\":{\"name\":\"Journal of Materials Chemistry C\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":5.7000,\"publicationDate\":\"2024-09-02\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Journal of Materials Chemistry C\",\"FirstCategoryId\":\"1\",\"ListUrlMain\":\"https://pubs.rsc.org/en/content/articlelanding/2024/tc/d4tc02267j\",\"RegionNum\":2,\"RegionCategory\":\"材料科学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"MATERIALS SCIENCE, MULTIDISCIPLINARY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Materials Chemistry C","FirstCategoryId":"1","ListUrlMain":"https://pubs.rsc.org/en/content/articlelanding/2024/tc/d4tc02267j","RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"MATERIALS SCIENCE, MULTIDISCIPLINARY","Score":null,"Total":0}
Restructuring disorder: transformation from the antiferromagnetic order in Fe2VSi to the ferromagnetic state in FeRuVSi by substitution of a non-magnetic element
The delicate nature of the half-metallic ferromagnetic (HMF) properties in Heusler alloys is often compromised by inherent structural disorder within the systems. Fe2VSi is a prime example, where such disorder prevents the realization of the theoretically proposed HMF state as the anti-site disorder leads to the formation of two anti-parallel magnetic lattices resulting in antiferromagnetic order. In this study, we propose an innovative and simple strategy to prevent this atomic disorder by replacing 50% of the magnetic element Fe by a large, isoelectronic, non-magnetic element: Ru. In this way, one of the magnetic sublattices of the antiferromagnetic lattice ceases to order while the ferromagnetic order is restored – an essential criterion for exhibiting HMF properties. Through various experimental measurements and theoretical calculations, we have shown that such partial replacement of Fe by Ru prevents the cross-site substitution of V/Si sites and the system regains its ferromagnetic order. Our theoretical calculations suggest that a perfect structural arrangement in Fe and Ru would have restored the HMF properties in FeRuVSi. However, the local atomic disorder of Fe and Ru was found to decrease the spin polarization value. The present work sheds light on the complex interplay between structural disorder and magnetic properties in Heusler alloys and provides insights for future design strategies in the pursuit of robust half-metallic ferromagnets.
期刊介绍:
The Journal of Materials Chemistry is divided into three distinct sections, A, B, and C, each catering to specific applications of the materials under study:
Journal of Materials Chemistry A focuses primarily on materials intended for applications in energy and sustainability.
Journal of Materials Chemistry B specializes in materials designed for applications in biology and medicine.
Journal of Materials Chemistry C is dedicated to materials suitable for applications in optical, magnetic, and electronic devices.
Example topic areas within the scope of Journal of Materials Chemistry C are listed below. This list is neither exhaustive nor exclusive.
Bioelectronics
Conductors
Detectors
Dielectrics
Displays
Ferroelectrics
Lasers
LEDs
Lighting
Liquid crystals
Memory
Metamaterials
Multiferroics
Photonics
Photovoltaics
Semiconductors
Sensors
Single molecule conductors
Spintronics
Superconductors
Thermoelectrics
Topological insulators
Transistors