Influence of order on the magnetic and electronic properties of quaternary half-metallic Heusler CoFeTiSn alloy
The crystal structure, magnetic and electronic properties and influence of order on half-metallicity of a quaternary Heusler CoFeTiSn alloy were studied. We found that CoFeTiSn alloy crystallizes to a LiMgPdSn prototype structure (space group F-43 m, No. 216). The relationship between the magnetic m...
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| Veröffentlicht in: | Journal of alloys and compounds 2020-11, Vol.842, p.155977, Article 155977 |
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| container_title | Journal of alloys and compounds |
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| creator | Zhang, Yajiu Liu, Zhuhong Wu, Zhigang Ma, Xingqiao Wu, Guangheng |
| description | The crystal structure, magnetic and electronic properties and influence of order on half-metallicity of a quaternary Heusler CoFeTiSn alloy were studied. We found that CoFeTiSn alloy crystallizes to a LiMgPdSn prototype structure (space group F-43 m, No. 216). The relationship between the magnetic moments (Mt = 1 μB) and the number of valence electrons (NV= 25) obeys the Slater-Pauling rule Mt = NV - 24. The electronic structure shows half-metallic property. Anti-site disorder between magnetic atoms Fe (or Co) and non-magnetic atoms Ti (or Sn), i.e. Co1-xTix, Co1-xSnx, Fe1-xTix and Fe1-xSnx has a significant influence on the magnetic and electronic properties of the alloys and is harmful to the half-metallic property. Anti-site disorder could be effectively depressed under ordering treatment. These results indicate CoFeTiSn is a potential half-metallic ferromagnet and promising for spintronic applications.
•Confirm the LiMgPdSn structure and atomic arrangement of CoFeTiSn.•Predict the half-metallicity for CoFeTiSn.•Reveal the influence of anti-site disorder on half-metallicity. |
| doi_str_mv | 10.1016/j.jallcom.2020.155977 |
| format | Article |
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•Confirm the LiMgPdSn structure and atomic arrangement of CoFeTiSn.•Predict the half-metallicity for CoFeTiSn.•Reveal the influence of anti-site disorder on half-metallicity.</description><identifier>ISSN: 0925-8388</identifier><identifier>EISSN: 1873-4669</identifier><identifier>DOI: 10.1016/j.jallcom.2020.155977</identifier><language>eng</language><publisher>Lausanne: Elsevier B.V</publisher><subject>Alloys ; Anti-site disorder ; Crystal structure ; Electronic properties ; Electronic structure ; Ferromagnetism ; First-principles calculations ; Half-metallic ferromagnet ; Heusler alloys ; Iron ; Magnetic intermetallics ; Magnetic moments ; Magnetic properties ; Metallicity ; Quaternary alloys ; Titanium</subject><ispartof>Journal of alloys and compounds, 2020-11, Vol.842, p.155977, Article 155977</ispartof><rights>2020 Elsevier B.V.</rights><rights>Copyright Elsevier BV Nov 25, 2020</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c337t-ff961ddad1a9ab2594f25ccc4478be523819e52c9b0cbb1109021048f080bb623</citedby><cites>FETCH-LOGICAL-c337t-ff961ddad1a9ab2594f25ccc4478be523819e52c9b0cbb1109021048f080bb623</cites></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktohtml>$$Uhttps://dx.doi.org/10.1016/j.jallcom.2020.155977$$EHTML$$P50$$Gelsevier$$H</linktohtml><link.rule.ids>314,777,781,3537,27905,27906,45976</link.rule.ids></links><search><creatorcontrib>Zhang, Yajiu</creatorcontrib><creatorcontrib>Liu, Zhuhong</creatorcontrib><creatorcontrib>Wu, Zhigang</creatorcontrib><creatorcontrib>Ma, Xingqiao</creatorcontrib><creatorcontrib>Wu, Guangheng</creatorcontrib><title>Influence of order on the magnetic and electronic properties of quaternary half-metallic Heusler CoFeTiSn alloy</title><title>Journal of alloys and compounds</title><description>The crystal structure, magnetic and electronic properties and influence of order on half-metallicity of a quaternary Heusler CoFeTiSn alloy were studied. We found that CoFeTiSn alloy crystallizes to a LiMgPdSn prototype structure (space group F-43 m, No. 216). The relationship between the magnetic moments (Mt = 1 μB) and the number of valence electrons (NV= 25) obeys the Slater-Pauling rule Mt = NV - 24. The electronic structure shows half-metallic property. Anti-site disorder between magnetic atoms Fe (or Co) and non-magnetic atoms Ti (or Sn), i.e. Co1-xTix, Co1-xSnx, Fe1-xTix and Fe1-xSnx has a significant influence on the magnetic and electronic properties of the alloys and is harmful to the half-metallic property. Anti-site disorder could be effectively depressed under ordering treatment. These results indicate CoFeTiSn is a potential half-metallic ferromagnet and promising for spintronic applications.
•Confirm the LiMgPdSn structure and atomic arrangement of CoFeTiSn.•Predict the half-metallicity for CoFeTiSn.•Reveal the influence of anti-site disorder on half-metallicity.</description><subject>Alloys</subject><subject>Anti-site disorder</subject><subject>Crystal structure</subject><subject>Electronic properties</subject><subject>Electronic structure</subject><subject>Ferromagnetism</subject><subject>First-principles calculations</subject><subject>Half-metallic ferromagnet</subject><subject>Heusler alloys</subject><subject>Iron</subject><subject>Magnetic intermetallics</subject><subject>Magnetic moments</subject><subject>Magnetic properties</subject><subject>Metallicity</subject><subject>Quaternary alloys</subject><subject>Titanium</subject><issn>0925-8388</issn><issn>1873-4669</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2020</creationdate><recordtype>article</recordtype><recordid>eNqFkFFLwzAUhYMoOKc_QQj43JmkTZs8iQx1g4EPzueQpjeupW22pBX2703p3n263Ms5h3M_hB4pWVFC8-dm1ei2Na5bMcLijXNZFFdoQUWRJlmey2u0IJLxRKRC3KK7EBpCCJUpXSC37W07Qm8AO4udr8Bj1-PhALjTPz0MtcG6rzC0YAbv-rgevTuCH2oIk-U06gF8r_0ZH3Rrkw6GWCbKNjCGNqat3Tvs668ex7M736Mbq9sAD5e5RN_vb_v1Jtl9fmzXr7vEpGkxJNbKnFaVrqiWumRcZpZxY0yWFaIEzlJBZRxGlsSUJaVEEkZJJiwRpCxzli7R05wb255GCINq3BhrtkGxLBMZ53nBo4rPKuNdCB6sOvq6i78oStTEVjXqwlZNbNXMNvpeZh_EF35r8CqYeoJY1T5yUpWr_0n4A-y0hjY</recordid><startdate>20201125</startdate><enddate>20201125</enddate><creator>Zhang, Yajiu</creator><creator>Liu, Zhuhong</creator><creator>Wu, Zhigang</creator><creator>Ma, Xingqiao</creator><creator>Wu, Guangheng</creator><general>Elsevier B.V</general><general>Elsevier BV</general><scope>AAYXX</scope><scope>CITATION</scope><scope>8BQ</scope><scope>8FD</scope><scope>JG9</scope></search><sort><creationdate>20201125</creationdate><title>Influence of order on the magnetic and electronic properties of quaternary half-metallic Heusler CoFeTiSn alloy</title><author>Zhang, Yajiu ; Liu, Zhuhong ; Wu, Zhigang ; Ma, Xingqiao ; Wu, Guangheng</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c337t-ff961ddad1a9ab2594f25ccc4478be523819e52c9b0cbb1109021048f080bb623</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2020</creationdate><topic>Alloys</topic><topic>Anti-site disorder</topic><topic>Crystal structure</topic><topic>Electronic properties</topic><topic>Electronic structure</topic><topic>Ferromagnetism</topic><topic>First-principles calculations</topic><topic>Half-metallic ferromagnet</topic><topic>Heusler alloys</topic><topic>Iron</topic><topic>Magnetic intermetallics</topic><topic>Magnetic moments</topic><topic>Magnetic properties</topic><topic>Metallicity</topic><topic>Quaternary alloys</topic><topic>Titanium</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Zhang, Yajiu</creatorcontrib><creatorcontrib>Liu, Zhuhong</creatorcontrib><creatorcontrib>Wu, Zhigang</creatorcontrib><creatorcontrib>Ma, Xingqiao</creatorcontrib><creatorcontrib>Wu, Guangheng</creatorcontrib><collection>CrossRef</collection><collection>METADEX</collection><collection>Technology Research Database</collection><collection>Materials Research Database</collection><jtitle>Journal of alloys and compounds</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Zhang, Yajiu</au><au>Liu, Zhuhong</au><au>Wu, Zhigang</au><au>Ma, Xingqiao</au><au>Wu, Guangheng</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Influence of order on the magnetic and electronic properties of quaternary half-metallic Heusler CoFeTiSn alloy</atitle><jtitle>Journal of alloys and compounds</jtitle><date>2020-11-25</date><risdate>2020</risdate><volume>842</volume><spage>155977</spage><pages>155977-</pages><artnum>155977</artnum><issn>0925-8388</issn><eissn>1873-4669</eissn><abstract>The crystal structure, magnetic and electronic properties and influence of order on half-metallicity of a quaternary Heusler CoFeTiSn alloy were studied. We found that CoFeTiSn alloy crystallizes to a LiMgPdSn prototype structure (space group F-43 m, No. 216). The relationship between the magnetic moments (Mt = 1 μB) and the number of valence electrons (NV= 25) obeys the Slater-Pauling rule Mt = NV - 24. The electronic structure shows half-metallic property. Anti-site disorder between magnetic atoms Fe (or Co) and non-magnetic atoms Ti (or Sn), i.e. Co1-xTix, Co1-xSnx, Fe1-xTix and Fe1-xSnx has a significant influence on the magnetic and electronic properties of the alloys and is harmful to the half-metallic property. Anti-site disorder could be effectively depressed under ordering treatment. These results indicate CoFeTiSn is a potential half-metallic ferromagnet and promising for spintronic applications.
•Confirm the LiMgPdSn structure and atomic arrangement of CoFeTiSn.•Predict the half-metallicity for CoFeTiSn.•Reveal the influence of anti-site disorder on half-metallicity.</abstract><cop>Lausanne</cop><pub>Elsevier B.V</pub><doi>10.1016/j.jallcom.2020.155977</doi></addata></record> |
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| subjects | Alloys Anti-site disorder Crystal structure Electronic properties Electronic structure Ferromagnetism First-principles calculations Half-metallic ferromagnet Heusler alloys Iron Magnetic intermetallics Magnetic moments Magnetic properties Metallicity Quaternary alloys Titanium |
| title | Influence of order on the magnetic and electronic properties of quaternary half-metallic Heusler CoFeTiSn alloy |
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