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Comparison of the crystal structures and magnetic properties of the low- and high-temperature forms of AgCuPO4 : crystal structure determination, magnetic susceptibility measurements, and spin dimer analysis

hal.structure.identifierInstitut de Chimie de la Matière Condensée de Bordeaux [ICMCB]
dc.contributor.authorBEN YAHIA, Hamdi
hal.structure.identifierInstitut de Chimie de la Matière Condensée de Bordeaux [ICMCB]
dc.contributor.authorGAUDIN, Etienne
hal.structure.identifierInstitut de Chimie de la Matière Condensée de Bordeaux [ICMCB]
dc.contributor.authorDARRIET, Jacques
hal.structure.identifierDepartment of Chemistry, North Carolina Raleigh
dc.contributor.authorDAI, Dadi
hal.structure.identifierDepartment of Chemistry, North Carolina Raleigh
dc.contributor.authorWHANGBO, Myung-Hwan
dc.date.issued2006
dc.identifier.issn0020-1669
dc.description.abstractEnThe crystal structure of the low-temperature form of AgCuPO4 (i.e., -AgCuPO4) was determined by powder X-ray diffraction and was compared with that of the high-temperature form of AgCuPO4 (i.e., -AgCuPO4). The magnetic properties of the two forms were examined by measuring their magnetic susceptibilities and evaluating the relative strengths of their spin-exchange interactions on the basis of spin-dimer analysis. Both forms of AgCuPO4 have layers of Cu2P2O8 alternating with silver-atom double layers; -AgCuPO4 has two Cu2P2O8 layers per unit cell, while -AgCuPO4 has one. The coordinate environment of each Cu2+ ion is close to being a distorted square pyramid in -AgCuPO4, but it is close to being a distorted trigonal bipyramid in -AgCuPO4. The magnetic susceptibilities of - and -AgCuPO4 are well simulated by an antiferromagnetic alternating-chain model, which leads to J/kB = -146.1 K and J/kB = -75.8 K for -AgCuPO4, and J/kB = -82.6 K and J/kB = -31.7 K for -AgCuPO4 (with the convention in which the spin-exchange parameter between two adjacent spin sites is written as 2J). The spin gaps, /kB, obtained from these parameters are 93.7 K for -AgCuPO4 and 62.3 K for -AgCuPO4. The strongest spin exchange in both forms of AgCuPO4 comes from a super-superexchange path, and this interaction is stronger for -AgCuPO4 than for -AgCuPO4 by a factor of ~2, in good agreement with the experiment. Our analysis supports the use of this model for -AgCuPO4 and indicates that the spin lattice of -AgCuPO4 would be better described by a two-dimensional net made up of weakly interacting alternating chains.
dc.language.isoen
dc.publisherAmerican Chemical Society
dc.subject.enHigh temperature
dc.subject.enMagnetic phenomena
dc.subject.enLow temperature
dc.subject.enAgCuPO4
dc.subject.enCrystal structure
dc.subject.enMagnetism
dc.subject.enMeasurements
dc.subject.enMagnetic properties
dc.title.enComparison of the crystal structures and magnetic properties of the low- and high-temperature forms of AgCuPO4 : crystal structure determination, magnetic susceptibility measurements, and spin dimer analysis
dc.typeArticle de revue
dc.identifier.doi10.1021/ic060484l
dc.subject.halChimie/Matériaux
bordeaux.journalInorganic Chemistry
bordeaux.pagep. 5501-5509
bordeaux.volumevol. 45, n° 14
bordeaux.peerReviewedoui
hal.identifierhal-00084957
hal.version1
hal.popularnon
hal.audienceNon spécifiée
hal.origin.linkhttps://hal.archives-ouvertes.fr//hal-00084957v1
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