Electronic structure and half-metallicity in Heusler alloys Fe2YB (Y=Ti, V, Mn, Cr)
The electronic structure and magnetic properties of B-based Heusler alloys Fe2YB (Y=Ti, V, Cr and Mn) have been studied theoretically. These alloys are all ferrimagnets except for Fe2VB. The latter has 24 valence electrons and is a paramagnetic semimetal. Fe2CrB is predicted to be half-metals at equ...
Gespeichert in:
| Veröffentlicht in: | Physica. B, Condensed matter Condensed matter, 2012-04, Vol.407 (8), p.1275-1278 |
|---|---|
| Hauptverfasser: | , , , , |
| Format: | Artikel |
| Sprache: | eng |
| Schlagworte: | |
| Online-Zugang: | Volltext |
| Tags: |
Tag hinzufügen
Keine Tags, Fügen Sie den ersten Tag hinzu!
|
| container_end_page | 1278 |
|---|---|
| container_issue | 8 |
| container_start_page | 1275 |
| container_title | Physica. B, Condensed matter |
| container_volume | 407 |
| creator | Li, S.T. Ren, Z. Luo, H.Z. Zhang, X.H. Liu, Y. |
| description | The electronic structure and magnetic properties of B-based Heusler alloys Fe2YB (Y=Ti, V, Cr and Mn) have been studied theoretically. These alloys are all ferrimagnets except for Fe2VB. The latter has 24 valence electrons and is a paramagnetic semimetal. Fe2CrB is predicted to be half-metals at equilibrium lattice constant. The spin polarization of Fe2MnB is also quite high. The calculated total moments are 1.00μB for Fe2CrB and 2.04μB for Fe2MnB. In Fe2CrB and Fe2MnB, the total moments are mainly determined by the partial moment of Cr or Mn. The Fe moment is relatively small and antiparallel to that of Cr or Mn. Under uniform lattice distortion, the half-metallicity of Fe2CrB is more stable than Fe2MnB, which is related to the detailed DOS structure of them near EF. |
| doi_str_mv | 10.1016/j.physb.2012.01.121 |
| format | Article |
| fullrecord | <record><control><sourceid>proquest_cross</sourceid><recordid>TN_cdi_proquest_miscellaneous_1019650740</recordid><sourceformat>XML</sourceformat><sourcesystem>PC</sourcesystem><els_id>S0921452612001469</els_id><sourcerecordid>1019650740</sourcerecordid><originalsourceid>FETCH-LOGICAL-c296t-fe16a8274c0e6eb5a6f261c8d882bf2a914265f80ee319655a333bb2de0681b93</originalsourceid><addsrcrecordid>eNp9kE1LxDAQhoMouH78Ai-5CArbmknatD140GVXhRUProKnkKZTzNJt16QV-u-Nrnh0LgPD884wDyFnwGJgIK_W8fZ99GXMGfCYQQwc9sgE8kxEHES6Tyas4BAlKZeH5Mj7NQsFGUzI87xB07uutYb63g2mHxxS3Vb0XTd1tMFeN401th-pbek9Dr5BR8OsGz1dIH-7pRdv1ys7pa9T-thO6cxdnpCDWjceT3_7MXlZzFez-2j5dPcwu1lGhheyj2oEqXOeJYahxDLVsuYSTF7lOS9rrgtIuEzrnCEKKGSaaiFEWfIKmcyhLMQxudjt3bruY0Dfq431BptGt9gNXgU1IcayhAVU7FDjOu8d1mrr7Ea7MUDfnFRr9aNQfStUDFRQGFLnvwe0N0GH062x_i_K04xLmaSBu95xGL79tOiUNxZbg5V1wa6qOvvvnS_gO4Wl</addsrcrecordid><sourcetype>Aggregation Database</sourcetype><iscdi>true</iscdi><recordtype>article</recordtype><pqid>1019650740</pqid></control><display><type>article</type><title>Electronic structure and half-metallicity in Heusler alloys Fe2YB (Y=Ti, V, Mn, Cr)</title><source>Elsevier ScienceDirect Journals</source><creator>Li, S.T. ; Ren, Z. ; Luo, H.Z. ; Zhang, X.H. ; Liu, Y.</creator><creatorcontrib>Li, S.T. ; Ren, Z. ; Luo, H.Z. ; Zhang, X.H. ; Liu, Y.</creatorcontrib><description>The electronic structure and magnetic properties of B-based Heusler alloys Fe2YB (Y=Ti, V, Cr and Mn) have been studied theoretically. These alloys are all ferrimagnets except for Fe2VB. The latter has 24 valence electrons and is a paramagnetic semimetal. Fe2CrB is predicted to be half-metals at equilibrium lattice constant. The spin polarization of Fe2MnB is also quite high. The calculated total moments are 1.00μB for Fe2CrB and 2.04μB for Fe2MnB. In Fe2CrB and Fe2MnB, the total moments are mainly determined by the partial moment of Cr or Mn. The Fe moment is relatively small and antiparallel to that of Cr or Mn. Under uniform lattice distortion, the half-metallicity of Fe2CrB is more stable than Fe2MnB, which is related to the detailed DOS structure of them near EF.</description><identifier>ISSN: 0921-4526</identifier><identifier>EISSN: 1873-2135</identifier><identifier>DOI: 10.1016/j.physb.2012.01.121</identifier><language>eng</language><publisher>Kidlington: Elsevier B.V</publisher><subject>Chromium ; Condensed matter ; Condensed matter: electronic structure, electrical, magnetic, and optical properties ; Distortion ; Electron density of states and band structure of crystalline solids ; Electron states ; Electronic structure ; Exact sciences and technology ; Half-metal ; Heusler alloys ; Magnetic properties ; Manganese ; Mathematical analysis ; Physics ; Transition metals and alloys ; Vanadium base alloys</subject><ispartof>Physica. B, Condensed matter, 2012-04, Vol.407 (8), p.1275-1278</ispartof><rights>2012 Elsevier B.V.</rights><rights>2015 INIST-CNRS</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c296t-fe16a8274c0e6eb5a6f261c8d882bf2a914265f80ee319655a333bb2de0681b93</citedby><cites>FETCH-LOGICAL-c296t-fe16a8274c0e6eb5a6f261c8d882bf2a914265f80ee319655a333bb2de0681b93</cites></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktohtml>$$Uhttps://www.sciencedirect.com/science/article/pii/S0921452612001469$$EHTML$$P50$$Gelsevier$$H</linktohtml><link.rule.ids>314,776,780,3537,27901,27902,65306</link.rule.ids><backlink>$$Uhttp://pascal-francis.inist.fr/vibad/index.php?action=getRecordDetail&idt=25726645$$DView record in Pascal Francis$$Hfree_for_read</backlink></links><search><creatorcontrib>Li, S.T.</creatorcontrib><creatorcontrib>Ren, Z.</creatorcontrib><creatorcontrib>Luo, H.Z.</creatorcontrib><creatorcontrib>Zhang, X.H.</creatorcontrib><creatorcontrib>Liu, Y.</creatorcontrib><title>Electronic structure and half-metallicity in Heusler alloys Fe2YB (Y=Ti, V, Mn, Cr)</title><title>Physica. B, Condensed matter</title><description>The electronic structure and magnetic properties of B-based Heusler alloys Fe2YB (Y=Ti, V, Cr and Mn) have been studied theoretically. These alloys are all ferrimagnets except for Fe2VB. The latter has 24 valence electrons and is a paramagnetic semimetal. Fe2CrB is predicted to be half-metals at equilibrium lattice constant. The spin polarization of Fe2MnB is also quite high. The calculated total moments are 1.00μB for Fe2CrB and 2.04μB for Fe2MnB. In Fe2CrB and Fe2MnB, the total moments are mainly determined by the partial moment of Cr or Mn. The Fe moment is relatively small and antiparallel to that of Cr or Mn. Under uniform lattice distortion, the half-metallicity of Fe2CrB is more stable than Fe2MnB, which is related to the detailed DOS structure of them near EF.</description><subject>Chromium</subject><subject>Condensed matter</subject><subject>Condensed matter: electronic structure, electrical, magnetic, and optical properties</subject><subject>Distortion</subject><subject>Electron density of states and band structure of crystalline solids</subject><subject>Electron states</subject><subject>Electronic structure</subject><subject>Exact sciences and technology</subject><subject>Half-metal</subject><subject>Heusler alloys</subject><subject>Magnetic properties</subject><subject>Manganese</subject><subject>Mathematical analysis</subject><subject>Physics</subject><subject>Transition metals and alloys</subject><subject>Vanadium base alloys</subject><issn>0921-4526</issn><issn>1873-2135</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2012</creationdate><recordtype>article</recordtype><recordid>eNp9kE1LxDAQhoMouH78Ai-5CArbmknatD140GVXhRUProKnkKZTzNJt16QV-u-Nrnh0LgPD884wDyFnwGJgIK_W8fZ99GXMGfCYQQwc9sgE8kxEHES6Tyas4BAlKZeH5Mj7NQsFGUzI87xB07uutYb63g2mHxxS3Vb0XTd1tMFeN401th-pbek9Dr5BR8OsGz1dIH-7pRdv1ys7pa9T-thO6cxdnpCDWjceT3_7MXlZzFez-2j5dPcwu1lGhheyj2oEqXOeJYahxDLVsuYSTF7lOS9rrgtIuEzrnCEKKGSaaiFEWfIKmcyhLMQxudjt3bruY0Dfq431BptGt9gNXgU1IcayhAVU7FDjOu8d1mrr7Ea7MUDfnFRr9aNQfStUDFRQGFLnvwe0N0GH062x_i_K04xLmaSBu95xGL79tOiUNxZbg5V1wa6qOvvvnS_gO4Wl</recordid><startdate>20120415</startdate><enddate>20120415</enddate><creator>Li, S.T.</creator><creator>Ren, Z.</creator><creator>Luo, H.Z.</creator><creator>Zhang, X.H.</creator><creator>Liu, Y.</creator><general>Elsevier B.V</general><general>Elsevier</general><scope>IQODW</scope><scope>AAYXX</scope><scope>CITATION</scope><scope>7U5</scope><scope>8BQ</scope><scope>8FD</scope><scope>JG9</scope><scope>L7M</scope></search><sort><creationdate>20120415</creationdate><title>Electronic structure and half-metallicity in Heusler alloys Fe2YB (Y=Ti, V, Mn, Cr)</title><author>Li, S.T. ; Ren, Z. ; Luo, H.Z. ; Zhang, X.H. ; Liu, Y.</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c296t-fe16a8274c0e6eb5a6f261c8d882bf2a914265f80ee319655a333bb2de0681b93</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2012</creationdate><topic>Chromium</topic><topic>Condensed matter</topic><topic>Condensed matter: electronic structure, electrical, magnetic, and optical properties</topic><topic>Distortion</topic><topic>Electron density of states and band structure of crystalline solids</topic><topic>Electron states</topic><topic>Electronic structure</topic><topic>Exact sciences and technology</topic><topic>Half-metal</topic><topic>Heusler alloys</topic><topic>Magnetic properties</topic><topic>Manganese</topic><topic>Mathematical analysis</topic><topic>Physics</topic><topic>Transition metals and alloys</topic><topic>Vanadium base alloys</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Li, S.T.</creatorcontrib><creatorcontrib>Ren, Z.</creatorcontrib><creatorcontrib>Luo, H.Z.</creatorcontrib><creatorcontrib>Zhang, X.H.</creatorcontrib><creatorcontrib>Liu, Y.</creatorcontrib><collection>Pascal-Francis</collection><collection>CrossRef</collection><collection>Solid State and Superconductivity Abstracts</collection><collection>METADEX</collection><collection>Technology Research Database</collection><collection>Materials Research Database</collection><collection>Advanced Technologies Database with Aerospace</collection><jtitle>Physica. B, Condensed matter</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Li, S.T.</au><au>Ren, Z.</au><au>Luo, H.Z.</au><au>Zhang, X.H.</au><au>Liu, Y.</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Electronic structure and half-metallicity in Heusler alloys Fe2YB (Y=Ti, V, Mn, Cr)</atitle><jtitle>Physica. B, Condensed matter</jtitle><date>2012-04-15</date><risdate>2012</risdate><volume>407</volume><issue>8</issue><spage>1275</spage><epage>1278</epage><pages>1275-1278</pages><issn>0921-4526</issn><eissn>1873-2135</eissn><abstract>The electronic structure and magnetic properties of B-based Heusler alloys Fe2YB (Y=Ti, V, Cr and Mn) have been studied theoretically. These alloys are all ferrimagnets except for Fe2VB. The latter has 24 valence electrons and is a paramagnetic semimetal. Fe2CrB is predicted to be half-metals at equilibrium lattice constant. The spin polarization of Fe2MnB is also quite high. The calculated total moments are 1.00μB for Fe2CrB and 2.04μB for Fe2MnB. In Fe2CrB and Fe2MnB, the total moments are mainly determined by the partial moment of Cr or Mn. The Fe moment is relatively small and antiparallel to that of Cr or Mn. Under uniform lattice distortion, the half-metallicity of Fe2CrB is more stable than Fe2MnB, which is related to the detailed DOS structure of them near EF.</abstract><cop>Kidlington</cop><pub>Elsevier B.V</pub><doi>10.1016/j.physb.2012.01.121</doi><tpages>4</tpages></addata></record> |
| fulltext | fulltext |
| identifier | ISSN: 0921-4526 |
| ispartof | Physica. B, Condensed matter, 2012-04, Vol.407 (8), p.1275-1278 |
| issn | 0921-4526 1873-2135 |
| language | eng |
| recordid | cdi_proquest_miscellaneous_1019650740 |
| source | Elsevier ScienceDirect Journals |
| subjects | Chromium Condensed matter Condensed matter: electronic structure, electrical, magnetic, and optical properties Distortion Electron density of states and band structure of crystalline solids Electron states Electronic structure Exact sciences and technology Half-metal Heusler alloys Magnetic properties Manganese Mathematical analysis Physics Transition metals and alloys Vanadium base alloys |
| title | Electronic structure and half-metallicity in Heusler alloys Fe2YB (Y=Ti, V, Mn, Cr) |
| url | https://sfx.bib-bvb.de/sfx_tum?ctx_ver=Z39.88-2004&ctx_enc=info:ofi/enc:UTF-8&ctx_tim=2025-01-30T13%3A23%3A07IST&url_ver=Z39.88-2004&url_ctx_fmt=infofi/fmt:kev:mtx:ctx&rfr_id=info:sid/primo.exlibrisgroup.com:primo3-Article-proquest_cross&rft_val_fmt=info:ofi/fmt:kev:mtx:journal&rft.genre=article&rft.atitle=Electronic%20structure%20and%20half-metallicity%20in%20Heusler%20alloys%20Fe2YB%20(Y=Ti,%20V,%20Mn,%20Cr)&rft.jtitle=Physica.%20B,%20Condensed%20matter&rft.au=Li,%20S.T.&rft.date=2012-04-15&rft.volume=407&rft.issue=8&rft.spage=1275&rft.epage=1278&rft.pages=1275-1278&rft.issn=0921-4526&rft.eissn=1873-2135&rft_id=info:doi/10.1016/j.physb.2012.01.121&rft_dat=%3Cproquest_cross%3E1019650740%3C/proquest_cross%3E%3Curl%3E%3C/url%3E&disable_directlink=true&sfx.directlink=off&sfx.report_link=0&rft_id=info:oai/&rft_pqid=1019650740&rft_id=info:pmid/&rft_els_id=S0921452612001469&rfr_iscdi=true |