Electronic structure of half-metallic ferromagnet Co2MnSi at high-pressure

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dc.authoridGokoglu, Gokhan/0000-0002-2456-6397
dc.authoridGulseren, Oguz/0000-0002-7632-0954
dc.contributor.authorGokoglu, G.
dc.contributor.authorGulseren, O.
dc.date.accessioned2024-09-29T16:04:47Z
dc.date.available2024-09-29T16:04:47Z
dc.date.issued2010
dc.departmentKarabük Üniversitesien_US
dc.description.abstractIn this study, first principles calculation results of the half-metallic ferromagnetic Heusler compound Co2MnSi are presented. All calculations are based on the spin-polarized generalized gradient approximation (sigma-GGA) of the density functional theory and ultrasoft pseudopotentials with plane wave basis. Electronic structure of related compound in cubic L2(1) structure is investigated up to 95 GPa uniform hydrostatic pressure. The half-metal to metal transition was observed around similar to 70 GPa together with downward shift of the conduction band minimum (CBM) and a linear increase of direct band gap of minority spins at I-point with increasing pressure. The electronic density of states of minority spins at Fermi level, which are mainly due to the cobalt atoms, become remarkable with increasing pressure resulting a sharp decrease in spin polarization ratio. It can be stated that the pressure affects minority spin states rather than that of majority spins and lead to a slight reconstruction of minority spin states which lie below the Fermi level. In particular, energy band gap of minority spin states in equilibrium structure is obviously not destroyed, but the Fermi level is shifted outside the gap.en_US
dc.description.sponsorshipTUBITAK (The Scientific & Technological Research Council of Turkey)en_US
dc.description.sponsorshipThis research was supported in part by TUBITAK (The Scientific & Technological Research Council of Turkey) through TR-Grid e-Infrastructure Project, part of the calculations have been carried out at ULAKBIM Computer Center.en_US
dc.identifier.doi10.1140/epjb/e2010-00188-0
dc.identifier.endpage326en_US
dc.identifier.issn1434-6028
dc.identifier.issn1434-6036
dc.identifier.issue2en_US
dc.identifier.scopus2-s2.0-79955917264en_US
dc.identifier.scopusqualityQ3en_US
dc.identifier.startpage321en_US
dc.identifier.urihttps://doi.org/10.1140/epjb/e2010-00188-0
dc.identifier.urihttps://hdl.handle.net/20.500.14619/6322
dc.identifier.volume76en_US
dc.identifier.wosWOS:000280135900017en_US
dc.identifier.wosqualityQ2en_US
dc.indekslendigikaynakWeb of Scienceen_US
dc.indekslendigikaynakScopusen_US
dc.language.isoenen_US
dc.publisherSpringeren_US
dc.relation.ispartofEuropean Physical Journal Ben_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subjectElectrical Spin Injectionen_US
dc.subjectHeusler Alloysen_US
dc.subjectMagnetic-Propertiesen_US
dc.subjectTransport-Propertiesen_US
dc.subjectEquationen_US
dc.subjectStateen_US
dc.titleElectronic structure of half-metallic ferromagnet Co2MnSi at high-pressureen_US
dc.typeArticleen_US

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