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dc.contributor.authorKumari, Shalini
dc.contributor.authorPradhan, Dhiren K.
dc.contributor.authorOrtega, Nora
dc.contributor.authorPradhan, Kallol
dc.contributor.authorDeVreugd, Christopher
dc.contributor.authorSrinivasan, Gopalan
dc.contributor.authorKumar, Ashok
dc.contributor.authorPaudel, Tula R.
dc.contributor.authorTsymbal, Evgeny Y.
dc.contributor.authorBumstead, Alice
dc.contributor.authorScott, James Floyd
dc.contributor.authorKatiyar, Ram S.
dc.identifier.citationKumari , S , Pradhan , D K , Ortega , N , Pradhan , K , DeVreugd , C , Srinivasan , G , Kumar , A , Paudel , T R , Tsymbal , E Y , Bumstead , A , Scott , J F & Katiyar , R S 2017 , ' Palladium-based ferroelectrics and multiferroics : theory and experiment ' , Physical Review. B, Condensed matter and materials physics , vol. 95 , no. 21 , 214109 .
dc.identifier.otherPURE: 250088827
dc.identifier.otherPURE UUID: 73d18cf0-d85d-4b45-952a-b916ffd9eb0e
dc.identifier.otherScopus: 85023762493
dc.identifier.otherWOS: 000403225000001
dc.description.abstractPalladium normally does not easily substitute for Ti or Zr in perovskite oxides. Moreover, Pd is not normally magnetic (but becomes ferromagnetic under applied uniaxial stress or electric fields). Despite these two great obstacles, we have succeeded in fabricating lead zirconate titanate with 30% Pd substitution. For 20:80 Zr:Ti the ceramics are generally single-phase perovskite (>99%), but sometimes exhibit 1% PbPdO2, which is magnetic below T=90K. The resulting material is multiferroic (ferroelectric-ferromagnet) at room temperature. The processing is slightly unusual (>8 hrs in high-energy ball-milling in Zr balls), and the density functional theory provided shows that it occurs because of Pd+4 in the oversized Pb+2 site; if all Pd+4 were to go into the Ti+4 perovskite B-site, no magnetism would result.
dc.relation.ispartofPhysical Review. B, Condensed matter and materials physicsen
dc.rights© 2017, American Physical Society. This work has been made available online in accordance with the publisher’s policies. This is the author created, accepted version manuscript following peer review and may differ slightly from the final published version. The final published version of this work is available at /
dc.subjectQC Physicsen
dc.subjectQD Chemistryen
dc.subjectT Technologyen
dc.titlePalladium-based ferroelectrics and multiferroics : theory and experimenten
dc.typeJournal articleen
dc.contributor.institutionUniversity of St Andrews. School of Chemistryen
dc.contributor.institutionUniversity of St Andrews. School of Physics and Astronomyen
dc.contributor.institutionUniversity of St Andrews. Condensed Matter Physicsen
dc.description.statusPeer revieweden

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