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

Simple item page
dc.citation.epage326en_US
dc.citation.issueNumber2en_US
dc.citation.spage321en_US
dc.citation.volumeNumber76en_US
dc.contributor.authorGökoǧlu, G.en_US
dc.contributor.authorGülseren, O.en_US
dc.date.accessioned2016-02-08T10:00:29Z
dc.date.available2016-02-08T10:00:29Z
dc.date.issued2010en_US
dc.departmentDepartment of Physicsen_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 (σ-GGA) of the density functional theory and ultrasoft pseudopotentials with plane wave basis. Electronic structure of related compound in cubic L21 structure is investigated up to 95 GPa uniform hydrostatic pressure. The half-metal to metal transition was observed around ∼70 GPa together with downward shift of the conduction band minimum (CBM) and a linear increase of direct band gap of minority spins at Γ-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.identifier.doi10.1140/epjb/e2010-00188-0en_US
dc.identifier.issn1434-6036
dc.identifier.urihttp://hdl.handle.net/11693/22465
dc.language.isoEnglishen_US
dc.publisherSpringer New York LLCen_US
dc.relation.isversionofhttp://dx.doi.org/10.1140/epjb/e2010-00188-0en_US
dc.source.titleEuropean Physical Journal Ben_US
dc.subjectCarbon dioxideen_US
dc.subjectElectronic density of statesen_US
dc.subjectElectronic structureen_US
dc.subjectEnergy gapen_US
dc.subjectFermi levelen_US
dc.subjectHydrostatic pressureen_US
dc.subjectSpin dynamicsen_US
dc.subjectStrontium compoundsen_US
dc.subjectConduction-band minimumen_US
dc.subjectEquilibrium structuresen_US
dc.subjectFirst-principles calculationen_US
dc.subjectGeneralized gradient approximationsen_US
dc.subjectHalf-metallic ferromagnetsen_US
dc.subjectPolarization ratiosen_US
dc.subjectUltrasoft pseudo potentialen_US
dc.subjectUniform hydrostatic pressureen_US
dc.subjectCobalt compoundsen_US
dc.titleElectronic structure of half-metallic ferromagnet Co2MnSi at high-pressureen_US
dc.typeArticleen_US
Files
Original bundle
Now showing 1 - 1 of 1
Thumbnail Image
Name:
Electronic structure of half-metallic ferromagnet Co2MnSi at high-pressure.pdf
Size:
405.98 KB
Format:
Adobe Portable Document Format
Description:
Full printable version
Download
Collections
Department of Physics