Ab initio study of Fe2MnZ (Al, Si, Ge) Heusler alloy using GGA approximation
Density functional theory based on FP-LAPW method used to investigate the electronic structure of Fe2MnZ, shows that the total spin magnetic moment shows a trend consistent with the Slater–Pauling curve. The Fe and Mn magnetic moment depend on choice of Z element although the magnetic moment of Z el...
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| creator | Jain, Vivek Kumar Jain Vishal Lakshmi, N Venugopalan, K |
| description | Density functional theory based on FP-LAPW method used to investigate the electronic structure of Fe2MnZ, shows that the total spin magnetic moment shows a trend consistent with the Slater–Pauling curve. The Fe and Mn magnetic moment depend on choice of Z element although the magnetic moment of Z element is negative and less than 0.1 μB. Spin polarization calculations evidence 100% spin polarization for Fe2MnSi. Fe2MnAl and Fe2MnGe show metallic behavior with 93%, 98% spin polarization. |
| doi_str_mv | 10.1063/1.4872877 |
| format | Conference Proceeding |
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The Fe and Mn magnetic moment depend on choice of Z element although the magnetic moment of Z element is negative and less than 0.1 μB. Spin polarization calculations evidence 100% spin polarization for Fe2MnSi. Fe2MnAl and Fe2MnGe show metallic behavior with 93%, 98% spin polarization.</description><identifier>ISSN: 0094-243X</identifier><identifier>EISSN: 1551-7616</identifier><identifier>DOI: 10.1063/1.4872877</identifier><language>eng ; jpn</language><publisher>Melville: American Institute of Physics</publisher><subject>Density functional theory ; Electronic structure ; Electrons ; Germanium ; Heusler alloys ; Magnetic moments ; Manganese ; Polarization (spin alignment) ; Silicon</subject><ispartof>AIP conference proceedings, 2014, Vol.1591 (1), p.1132</ispartof><rights>2014 AIP Publishing LLC.</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><link.rule.ids>309,310,780,784,789,790,4047,4048,23928,23929,25138,27923</link.rule.ids></links><search><creatorcontrib>Jain, Vivek Kumar</creatorcontrib><creatorcontrib>Jain Vishal</creatorcontrib><creatorcontrib>Lakshmi, N</creatorcontrib><creatorcontrib>Venugopalan, K</creatorcontrib><title>Ab initio study of Fe2MnZ (Al, Si, Ge) Heusler alloy using GGA approximation</title><title>AIP conference proceedings</title><description>Density functional theory based on FP-LAPW method used to investigate the electronic structure of Fe2MnZ, shows that the total spin magnetic moment shows a trend consistent with the Slater–Pauling curve. The Fe and Mn magnetic moment depend on choice of Z element although the magnetic moment of Z element is negative and less than 0.1 μB. Spin polarization calculations evidence 100% spin polarization for Fe2MnSi. Fe2MnAl and Fe2MnGe show metallic behavior with 93%, 98% spin polarization.</description><subject>Density functional theory</subject><subject>Electronic structure</subject><subject>Electrons</subject><subject>Germanium</subject><subject>Heusler alloys</subject><subject>Magnetic moments</subject><subject>Manganese</subject><subject>Polarization (spin alignment)</subject><subject>Silicon</subject><issn>0094-243X</issn><issn>1551-7616</issn><fulltext>true</fulltext><rsrctype>conference_proceeding</rsrctype><creationdate>2014</creationdate><recordtype>conference_proceeding</recordtype><recordid>eNotzUFLwzAYgOEgCtbpwX8Q8KKwznxJ-iU9luE6oeJBBfEymiaRlNrOpQX37y3o6b09LyHXwFbAUNzDSmrFtVInJIEsg1Qh4ClJGMtlyqV4PycXMbaM8VwpnZCqMDT0YQwDjeNkj3TwdOP4U_9Bb4tuSV_Ckpbujm7dFDt3oHXXDUc6xdB_0rIsaL3fH4af8FXPQn9JznzdRXf13wV52zy8rrdp9Vw-rosqbQHlmDbMNpIZxZxQ0irjkYNGk2kFxubW1F6jF5bXMpPoeIOeWeNZroAjZoKLBbn5c-f39-TiuGuH6dDPyx0HrlADcBC_0j9LrA</recordid><startdate>2014</startdate><enddate>2014</enddate><creator>Jain, Vivek Kumar</creator><creator>Jain Vishal</creator><creator>Lakshmi, N</creator><creator>Venugopalan, K</creator><general>American Institute of Physics</general><scope>8FD</scope><scope>H8D</scope><scope>L7M</scope></search><sort><creationdate>2014</creationdate><title>Ab initio study of Fe2MnZ (Al, Si, Ge) Heusler alloy using GGA approximation</title><author>Jain, Vivek Kumar ; Jain Vishal ; Lakshmi, N ; Venugopalan, K</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-j164t-c0dc40b70e374d7bf62186b5871bd9dbaf86f3d2a4546e2c6f0dbf09712665323</frbrgroupid><rsrctype>conference_proceedings</rsrctype><prefilter>conference_proceedings</prefilter><language>eng ; jpn</language><creationdate>2014</creationdate><topic>Density functional theory</topic><topic>Electronic structure</topic><topic>Electrons</topic><topic>Germanium</topic><topic>Heusler alloys</topic><topic>Magnetic moments</topic><topic>Manganese</topic><topic>Polarization (spin alignment)</topic><topic>Silicon</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Jain, Vivek Kumar</creatorcontrib><creatorcontrib>Jain Vishal</creatorcontrib><creatorcontrib>Lakshmi, N</creatorcontrib><creatorcontrib>Venugopalan, K</creatorcontrib><collection>Technology Research Database</collection><collection>Aerospace Database</collection><collection>Advanced Technologies Database with Aerospace</collection></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Jain, Vivek Kumar</au><au>Jain Vishal</au><au>Lakshmi, N</au><au>Venugopalan, K</au><format>book</format><genre>proceeding</genre><ristype>CONF</ristype><atitle>Ab initio study of Fe2MnZ (Al, Si, Ge) Heusler alloy using GGA approximation</atitle><btitle>AIP conference proceedings</btitle><date>2014</date><risdate>2014</risdate><volume>1591</volume><issue>1</issue><epage>1132</epage><issn>0094-243X</issn><eissn>1551-7616</eissn><abstract>Density functional theory based on FP-LAPW method used to investigate the electronic structure of Fe2MnZ, shows that the total spin magnetic moment shows a trend consistent with the Slater–Pauling curve. The Fe and Mn magnetic moment depend on choice of Z element although the magnetic moment of Z element is negative and less than 0.1 μB. Spin polarization calculations evidence 100% spin polarization for Fe2MnSi. Fe2MnAl and Fe2MnGe show metallic behavior with 93%, 98% spin polarization.</abstract><cop>Melville</cop><pub>American Institute of Physics</pub><doi>10.1063/1.4872877</doi></addata></record> |
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| identifier | ISSN: 0094-243X |
| ispartof | AIP conference proceedings, 2014, Vol.1591 (1), p.1132 |
| issn | 0094-243X 1551-7616 |
| language | eng ; jpn |
| recordid | cdi_proquest_journals_2127681121 |
| source | AIP Journals Complete |
| subjects | Density functional theory Electronic structure Electrons Germanium Heusler alloys Magnetic moments Manganese Polarization (spin alignment) Silicon |
| title | Ab initio study of Fe2MnZ (Al, Si, Ge) Heusler alloy using GGA approximation |
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