New quaternary half-metallic ferromagnets with large Curie temperatures
New magnetic materials with high Curie temperatures for spintronic applications are perpetually sought for. In this paper, we present an ab initio study of the structural, electronic and magnetic properties of Quaternary Heusler compounds CoX′Y′Si where X′ is a transition metal with 4d electrons and...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
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Nature Publishing Group UK
2017
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5431771/ https://www.ncbi.nlm.nih.gov/pubmed/28496114 http://dx.doi.org/10.1038/s41598-017-01782-5 |
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author | Kundu, Ashis Ghosh, Srikrishna Banerjee, Rudra Ghosh, Subhradip Sanyal, Biplab |
author_facet | Kundu, Ashis Ghosh, Srikrishna Banerjee, Rudra Ghosh, Subhradip Sanyal, Biplab |
author_sort | Kundu, Ashis |
collection | PubMed |
description | New magnetic materials with high Curie temperatures for spintronic applications are perpetually sought for. In this paper, we present an ab initio study of the structural, electronic and magnetic properties of Quaternary Heusler compounds CoX′Y′Si where X′ is a transition metal with 4d electrons and Y′ is either Fe or Mn. We find five new half-metallic ferromagnets with spin polarisation nearly 100% with very high Curie temperatures. The variation of Curie temperatures as a function of valence electrons can be understood from the calculated inter-atomic exchange interaction parameters. We also identify a few other compounds, which could be potential half-metals with suitable application of pressure or with controlled doping. Our results reveal that the half-metallicity in these compounds is intricately related to the arrangements of the magnetic atoms in the Heusler lattice and hence, the interatomic exchange interactions between the moments. The trends in the atomic arrangements, total and local magnetic moments, interatomic magnetic exchange interactions and Curie temperatures are discussed with fundamental insights. |
format | Online Article Text |
id | pubmed-5431771 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2017 |
publisher | Nature Publishing Group UK |
record_format | MEDLINE/PubMed |
spelling | pubmed-54317712017-05-16 New quaternary half-metallic ferromagnets with large Curie temperatures Kundu, Ashis Ghosh, Srikrishna Banerjee, Rudra Ghosh, Subhradip Sanyal, Biplab Sci Rep Article New magnetic materials with high Curie temperatures for spintronic applications are perpetually sought for. In this paper, we present an ab initio study of the structural, electronic and magnetic properties of Quaternary Heusler compounds CoX′Y′Si where X′ is a transition metal with 4d electrons and Y′ is either Fe or Mn. We find five new half-metallic ferromagnets with spin polarisation nearly 100% with very high Curie temperatures. The variation of Curie temperatures as a function of valence electrons can be understood from the calculated inter-atomic exchange interaction parameters. We also identify a few other compounds, which could be potential half-metals with suitable application of pressure or with controlled doping. Our results reveal that the half-metallicity in these compounds is intricately related to the arrangements of the magnetic atoms in the Heusler lattice and hence, the interatomic exchange interactions between the moments. The trends in the atomic arrangements, total and local magnetic moments, interatomic magnetic exchange interactions and Curie temperatures are discussed with fundamental insights. Nature Publishing Group UK 2017-05-11 /pmc/articles/PMC5431771/ /pubmed/28496114 http://dx.doi.org/10.1038/s41598-017-01782-5 Text en © The Author(s) 2017 Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/. |
spellingShingle | Article Kundu, Ashis Ghosh, Srikrishna Banerjee, Rudra Ghosh, Subhradip Sanyal, Biplab New quaternary half-metallic ferromagnets with large Curie temperatures |
title | New quaternary half-metallic ferromagnets with large Curie temperatures |
title_full | New quaternary half-metallic ferromagnets with large Curie temperatures |
title_fullStr | New quaternary half-metallic ferromagnets with large Curie temperatures |
title_full_unstemmed | New quaternary half-metallic ferromagnets with large Curie temperatures |
title_short | New quaternary half-metallic ferromagnets with large Curie temperatures |
title_sort | new quaternary half-metallic ferromagnets with large curie temperatures |
topic | Article |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5431771/ https://www.ncbi.nlm.nih.gov/pubmed/28496114 http://dx.doi.org/10.1038/s41598-017-01782-5 |
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