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dc.creatorBelošević-Čavor, Jelena
dc.creatorKoteski, Vasil J.
dc.creatorRadaković, Jana
dc.date.accessioned2018-03-01T22:31:53Z
dc.date.available2018-03-01T22:31:53Z
dc.date.issued2012
dc.identifier.issn0038-1098
dc.identifier.urihttp://vinar.vin.bg.ac.rs/handle/123456789/4872
dc.description.abstractBy means of a density functional theory approach, we studied the electric field gradients (EFG) in Ta and Cd-doped Ti-Pd intermetallics. Our results confirmed the previous experimental findings that the TiPd2 low-temperature structure is orthorhombic and established that Ta substitutes for Ti in this structure. The temperature increase above 650 K changes the Ta impurity position in the lattice. Similar changes for the Cd doped system were not confirmed, as Cd is most likely to occupy Pd lattice sites in both low and high-temperature phases. In the case of TiPd, our calculations suggested that Ta substitutes for Ti in the low-temperature phase, while Cd probably can substitute on both Ti and Pd crystallographic sites. (C) 2012 Elsevier Ltd. All rights reserved.en
dc.relationinfo:eu-repo/grantAgreement/MESTD/Basic Research (BR or ON)/171001/RS//
dc.rightsrestrictedAccessen
dc.sourceSolid State Communicationsen
dc.subjectMemory shape alloyen
dc.subjectElectric field gradienten
dc.subjectDensity functional calculationen
dc.titleStructure identification and site preference of Ta and Cd in Ti-Pd alloys: A first-principle studyen
dc.typearticleen
dcterms.abstractРадаковић Јана; Котески Васил Ј.; Белошевић-Чавор Јелена;
dc.citation.volume152
dc.citation.issue12
dc.citation.spage1072
dc.citation.epage1075
dc.identifier.wos000304795500021
dc.identifier.doi10.1016/j.ssc.2012.03.039
dc.citation.rankM22
dc.identifier.scopus2-s2.0-84860723118


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