The Magnetic and Crystal Structure of MnxGa (1.15 ≤ x ≤ 1.8) Alloys

Abstract Neutron powder diffraction patterns measured above T C have been used to determine the location of the excess Mn in MnxGa (1.15 ≤ x ≤ 1.8). This information has then been used to constrain the fits to neutron powder diffraction patterns measured at ambient temperature and so determine unamb...

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Autores principales:	D. H. Ryan, Ming Yue, C. B. Boyer, X. B. Liu, Qingmei Lu, Hongguo Zhang, Chenhui Li, Manli Wang, Z. Altounian
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2017
Materias:	Medicine R Science Q
Acceso en línea:	https://doaj.org/article/dada72334f424eadade1c1d8e512a994
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spelling	oai:doaj.org-article:dada72334f424eadade1c1d8e512a9942021-12-02T12:32:04ZThe Magnetic and Crystal Structure of MnxGa (1.15 ≤ x ≤ 1.8) Alloys10.1038/s41598-017-00579-w2045-2322https://doaj.org/article/dada72334f424eadade1c1d8e512a9942017-04-01T00:00:00Zhttps://doi.org/10.1038/s41598-017-00579-whttps://doaj.org/toc/2045-2322Abstract Neutron powder diffraction patterns measured above T C have been used to determine the location of the excess Mn in MnxGa (1.15 ≤ x ≤ 1.8). This information has then been used to constrain the fits to neutron powder diffraction patterns measured at ambient temperature and so determine unambiguously the Mn moments in this system. We find that Mn randomly occupies the two Ga sites (2a and 2b) in the I4/mmm structure and propose that it is more appropriate to use a simpler structure based on the P4/mmm space group with a reduced unit cell. In this structure the two Ga sites are formally equivalent (they occupy the 1a site while Mn occupies the 1d site). Our experimental observations are supported by DFT calculations. Below T C we find that the Mn(1d) moment is constant at 2.45(3) μ B , while Mn on the 1a site carries a slightly larger moment (~3 μ B ) that is coupled antiparallel to the Mn(1d) moments, leading to the observed drop in magnetisation with increasing Mn content in MnxGa.D. H. RyanMing YueC. B. BoyerX. B. LiuQingmei LuHongguo ZhangChenhui LiManli WangZ. AltounianNature PortfolioarticleMedicineRScienceQENScientific Reports, Vol 7, Iss 1, Pp 1-8 (2017)
institution	DOAJ
collection	DOAJ
language	EN
topic	Medicine R Science Q
spellingShingle	Medicine R Science Q D. H. Ryan Ming Yue C. B. Boyer X. B. Liu Qingmei Lu Hongguo Zhang Chenhui Li Manli Wang Z. Altounian The Magnetic and Crystal Structure of MnxGa (1.15 ≤ x ≤ 1.8) Alloys
description	Abstract Neutron powder diffraction patterns measured above T C have been used to determine the location of the excess Mn in MnxGa (1.15 ≤ x ≤ 1.8). This information has then been used to constrain the fits to neutron powder diffraction patterns measured at ambient temperature and so determine unambiguously the Mn moments in this system. We find that Mn randomly occupies the two Ga sites (2a and 2b) in the I4/mmm structure and propose that it is more appropriate to use a simpler structure based on the P4/mmm space group with a reduced unit cell. In this structure the two Ga sites are formally equivalent (they occupy the 1a site while Mn occupies the 1d site). Our experimental observations are supported by DFT calculations. Below T C we find that the Mn(1d) moment is constant at 2.45(3) μ B , while Mn on the 1a site carries a slightly larger moment (~3 μ B ) that is coupled antiparallel to the Mn(1d) moments, leading to the observed drop in magnetisation with increasing Mn content in MnxGa.
format	article
author	D. H. Ryan Ming Yue C. B. Boyer X. B. Liu Qingmei Lu Hongguo Zhang Chenhui Li Manli Wang Z. Altounian
author_facet	D. H. Ryan Ming Yue C. B. Boyer X. B. Liu Qingmei Lu Hongguo Zhang Chenhui Li Manli Wang Z. Altounian
author_sort	D. H. Ryan
title	The Magnetic and Crystal Structure of MnxGa (1.15 ≤ x ≤ 1.8) Alloys
title_short	The Magnetic and Crystal Structure of MnxGa (1.15 ≤ x ≤ 1.8) Alloys
title_full	The Magnetic and Crystal Structure of MnxGa (1.15 ≤ x ≤ 1.8) Alloys
title_fullStr	The Magnetic and Crystal Structure of MnxGa (1.15 ≤ x ≤ 1.8) Alloys
title_full_unstemmed	The Magnetic and Crystal Structure of MnxGa (1.15 ≤ x ≤ 1.8) Alloys
title_sort	magnetic and crystal structure of mnxga (1.15 ≤ x ≤ 1.8) alloys
publisher	Nature Portfolio
publishDate	2017
url	https://doaj.org/article/dada72334f424eadade1c1d8e512a994
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The Magnetic and Crystal Structure of MnxGa (1.15 ≤ x ≤ 1.8) Alloys

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