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dc.contributor.authorZakharov, K. V.
dc.contributor.authorZvereva, E. A.
dc.contributor.authorBerdonosov, P. S.
dc.contributor.authorKuznetsova, E. S.
dc.contributor.authorDolgikh, V. A.
dc.contributor.authorClark, Lucy Mary
dc.contributor.authorBlack, Cameron
dc.contributor.authorLightfoot, Philip
dc.contributor.authorKockelmann, W.
dc.contributor.authorPchelkina, Z. V.
dc.contributor.authorStreltsov, S. V.
dc.contributor.authorVolkova, O. S.
dc.contributor.authorVasiliev, A. N.
dc.identifier.citationZakharov , K V , Zvereva , E A , Berdonosov , P S , Kuznetsova , E S , Dolgikh , V A , Clark , L M , Black , C , Lightfoot , P , Kockelmann , W , Pchelkina , Z V , Streltsov , S V , Volkova , O S & Vasiliev , A N 2014 , ' Thermodynamic properties, electron spin resonance and underlying spin model in Cu 3 Y(SeO 3 ) 2 O 2 Cl ' , Physical Review. B, Condensed matter and materials physics , vol. 90 , 214417 .
dc.identifier.otherPURE: 159509800
dc.identifier.otherPURE UUID: cdfe65c0-85a7-4471-b1a3-626ebb3704c5
dc.identifier.otherWOS: 000346606100003
dc.identifier.otherScopus: 84916202899
dc.identifier.otherORCID: /0000-0001-7048-3982/work/59464460
dc.descriptionThe collaboration between the University of St Andrews and Moscow State University was funded by a Royal Society International Exchanges grant, in collaboration with the RFBR (12-03-92604). P.L. and L.C. also thank the Leverhulme Trust (Award RPG-2013-343).en
dc.description.abstractWe report a detailed study of the magnetic properties of the buckled kagome compound Cu3Y(SeO3)2O2Cl using heat capacity, magnetization, powder neutron diffraction, electron spin resonance and first-principles calculations. The crystal structure is confirmed to be isotypic with the mineral francisite, with orthorhombic space group symmetry Pmmn throughout the temperature range 5 – 300 K. Magnetization, heat capacity and neutron diffraction confirm long range magnetic order below TN = 35 K. The electron spin resonance spectra reveal the presence of two modes corresponding to two different crystallographic Cu positions. The principal g-values of the g-tensor of Cu(1) sites were found to be g1 = 2.18(4), g2 = 2.10(6) and g3 = 2.05(9), while the effective g-factor of Cu(2) sites is almost isotropic and is on average g = 2.09(5). At low temperatures, Cu3Y(SeO3)2O2Cl undergoes a metamagnetic transition, with a critical field BC = 2.6 T at 2 K, due to the suppression of the inter-plane exchange interactions and saturates in modest magnetic field, BS ≤8 T. The first-principles calculations allow an estimation of both intra-plane and inter-plane exchange interactions. The weakness of the inter-plane exchange interaction results in low values of the critical fields for the metamagnetic transition, while the competition between intra-plane exchange interactions of different signs results in a similarly low value of the saturation field.
dc.relation.ispartofPhysical Review. B, Condensed matter and materials physicsen
dc.rights©2014 American Physical Society. This work is 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.subjectQD Chemistryen
dc.titleThermodynamic properties, electron spin resonance and underlying spin model in Cu3Y(SeO3)2O2Clen
dc.typeJournal articleen
dc.contributor.sponsorThe Royal Societyen
dc.contributor.sponsorThe Leverhulme Trusten
dc.contributor.institutionUniversity of St Andrews. School of Chemistryen
dc.contributor.institutionUniversity of St Andrews. EaSTCHEMen
dc.description.statusPeer revieweden

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