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...

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Autores principales: Kundu, Ashis, Ghosh, Srikrishna, Banerjee, Rudra, Ghosh, Subhradip, Sanyal, Biplab
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2017
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.
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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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