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Semiconducting (half-metallic) ferromagnetism in Mn(Fe) substituted Pt and Pd nitrides

hal.structure.identifierUniversité Abderrahmane Mira [Université de Béjaïa] = University Abderrahmane Mira [University of Béjaïa] [UB]
dc.contributor.authorHOUARI, Abdesalem
hal.structure.identifierInstitut de Chimie de la Matière Condensée de Bordeaux [ICMCB]
dc.contributor.authorMATAR, Samir F.
hal.structure.identifierCenter for Electronic Correlations and Magnetism
dc.contributor.authorEYERT, Volker
dc.date.issued2010
dc.identifier.issn1098-0121
dc.description.abstractEnUsing first-principles calculations as based on density-functional theory, we propose a class of so far unexplored diluted ferromagnetic semiconductors and half metals. Here, we study the electronic properties of recently synthesized 4d and 5d transition-metal dinitrides. In particular, we address Mn and Fe substitution in PtN2 and PdN2. Structural relaxation shows that the resulting ordered compounds, Pt0.75Mn,Fe0.25N2 and Pd0.75Mn,Fe0.25N2, maintain the cubic crystal symmetry of the parent compounds. On substitution, all compounds exhibit long-range ferromagnetic order. While both Pt0.75Mn0.25N2 and Pd0.75Mn0.25N2 are semiconducting, Fe substitution causes half-metallic behavior for both parent materials.
dc.language.isoen
dc.publisherAmerican Physical Society
dc.title.enSemiconducting (half-metallic) ferromagnetism in Mn(Fe) substituted Pt and Pd nitrides
dc.typeArticle de revue
dc.identifier.doi10.1103/PhysRevB.82.241201
dc.subject.halChimie/Matériaux
dc.identifier.arxiv1101.1635
bordeaux.journalPhysical Review B: Condensed Matter and Materials Physics (1998-2015)
bordeaux.page241201 (4 p.)
bordeaux.volume82
bordeaux.issue24
bordeaux.peerReviewedoui
hal.identifierhal-00547577
hal.version1
hal.popularnon
hal.audienceInternationale
hal.origin.linkhttps://hal.archives-ouvertes.fr//hal-00547577v1
bordeaux.COinSctx_ver=Z39.88-2004&rft_val_fmt=info:ofi/fmt:kev:mtx:journal&rft.jtitle=Physical%20Review%20B:%20Condensed%20Matter%20and%20Materials%20Physics%20(1998-2015)&rft.date=2010&rft.volume=82&rft.issue=24&rft.spage=241201%20(4%20p.)&rft.epage=241201%20(4%20p.)&rft.eissn=1098-0121&rft.issn=1098-0121&rft.au=HOUARI,%20Abdesalem&MATAR,%20Samir%20F.&EYERT,%20Volker&rft.genre=article


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