Thermoelectric response of quaternary Heusler compound CrVNbZn

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dc.contributor.authorKara, H.
dc.contributor.authorKahaly, M. Upadhyay
dc.contributor.authorOzdogan, K.
dc.date.accessioned2024-02-23T14:12:31Z
dc.date.available2024-02-23T14:12:31Z
dc.date.issued2018
dc.departmentNEÜen_US
dc.description.abstractThe electronic, magnetic and thermoelectric properties of CrVNbZn quaternary Heusler compound are investigated by means of first-principles calculations in combination with Boltzmann transport theory. The lattice is found to crystallize in the cubic quaternary Heusler structure (space group 216). As observed from the electronic bands near the Fermi level and corresponding densities of states (DOS), a prominent asymmetry in DOS is induced by V and Cr atoms followed by slight contribution from Nb. One sharp electronic band, with maximal contribution from V d electronic states, and just touching the Fermi level makes the system semiconducting, and enhances the thermoelectric figure of merit. The mechanism leading to this behavior is explained in terms of a local spin-polarization introduced by the V ions. Our results indicate that magnetic doping can play a strong role in tuning the electronic and magnetic properties of CrVNbZn compound, and in general in quaternary Heusler compounds. (C) 2017 Elsevier B.V. All rights reserved.en_US
dc.description.sponsorshipEuropean Union [GINOP-2.3.6-15-2015-00001]; European Regional Development funden_US
dc.description.sponsorshipMUK's work is performed under ELI-ALPS project (GINOP-2.3.6-15-2015-00001) which is supported by European Union and co-financed by European Regional Development fund. We acknowledge NIIF supercomputing facility for awarding us access to resource based in Hungary at Szeged, for performing some calculations under the project 'ultrapro'.en_US
dc.identifier.doi10.1016/j.jallcom.2017.11.022
dc.identifier.endpage958en_US
dc.identifier.issn0925-8388
dc.identifier.issn1873-4669
dc.identifier.scopus2-s2.0-85034777732en_US
dc.identifier.scopusqualityQ1en_US
dc.identifier.startpage950en_US
dc.identifier.urihttps://doi.org/10.1016/j.jallcom.2017.11.022
dc.identifier.urihttps://hdl.handle.net/20.500.12452/12096
dc.identifier.volume735en_US
dc.identifier.wosWOS:000418518600113en_US
dc.identifier.wosqualityQ1en_US
dc.indekslendigikaynakWeb of Scienceen_US
dc.indekslendigikaynakScopusen_US
dc.language.isoenen_US
dc.publisherElsevier Science Saen_US
dc.relation.ispartofJournal Of Alloys And Compoundsen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subjectQuaternary Heusler Compounden_US
dc.subjectThermoelectricsen_US
dc.subjectStrain Effecten_US
dc.titleThermoelectric response of quaternary Heusler compound CrVNbZnen_US
dc.typeArticleen_US

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