Structural evolution of one-dimensional spin-ladder compounds Sr14−xCaxCu24O41 with Ca doping and related evidence of hole redistribution

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dc.contributor.authorDeng, Gen_AU
dc.contributor.authorPomjakushin, Ven_AU
dc.contributor.authorPetříček, Ven_AU
dc.contributor.authorPomjakushina, Een_AU
dc.contributor.authorKenzelmann, Men_AU
dc.contributor.authorConder, Ken_AU
dc.date.accessioned2012-01-12T03:58:07Zen_AU
dc.date.available2012-01-12T03:58:07Zen_AU
dc.date.issued2011-10-17en_AU
dc.date.statistics2012-01-12en_AU
dc.description.abstractIncommensurate crystal structures of spin-ladder series Sr(14-x)Ca(x)Cu(24)O(41) (x = 3, 7, 11, and 12.2) were characterized by powder neutron scattering method and refined using the superspace group Xmmm(00 gamma)ss0 [ equivalent to superspace group Fmmm(0, 0, 1 + gamma)ss0; X stands for nonstandard centering (0, 0, 0, 0), (0, 1/2, 1/2, 1/2), (1/2, 1/2, 0, 0), (1/2, 0, 1/2, 1/2)] with a modulated structure model. The Ca doping effects on the lattice parameters, atomic displacement, Cu-O distances, Cu-O bond angles, and Cu bond valence sum were characterized. The refined results show that the CuO(4) planar units in both chain and ladder sublattices become closer to square shape with an increase of Ca doping. The Cu bond valence sum calculation provided new evidence for the charge transfer from the chains to ladders (approximately 0.16 holes per Cu from x = 0 to 12.2). The charge transfer was attributed to two different mechanisms: (a) the Cu-O bond distance shrinkage on the ladder and (b) increase of the interaction between two sublattices, resulting in Cu-O bonding between the chains and ladders. The low-temperature structural refinement resulted in the similar conclusion with a slight charge backflow to the chains.© 2011, American Physical Societyen_AU
dc.identifier.articlenumber144111en_AU
dc.identifier.citationDeng, G.C., Pomjakushin, V., Petricek, V., Pomjakushina, E., Kenzelmann, M., & Conder, K. (2011). Structural evolution of one-dimensional spin-ladder compounds Sr(14-x)Ca(x)Cu(24)O(41) with Ca doping and related evidence of hole redistribution. Physical Review B, 84(14), 144111. doi:10.1103/PhysRevB.84.144111en_AU
dc.identifier.govdoc3804en_AU
dc.identifier.issn1098-0121en_AU
dc.identifier.issue14en_AU
dc.identifier.journaltitlePhysical Review Ben_AU
dc.identifier.urihttp://dx.doi.org/10.1103/PhysRevB.84.144111en_AU
dc.identifier.urihttp://apo.ansto.gov.au/dspace/handle/10238/3989en_AU
dc.identifier.volume84en_AU
dc.language.isoenen_AU
dc.publisherAmerican Physical Societyen_AU
dc.subjectSpinen_AU
dc.subjectCrystal structureen_AU
dc.subjectCrystal latticesen_AU
dc.subjectChemical bondsen_AU
dc.subjectPhase transformationsen_AU
dc.subjectNeutron diffractionen_AU
dc.titleStructural evolution of one-dimensional spin-ladder compounds Sr14−xCaxCu24O41 with Ca doping and related evidence of hole redistributionen_AU
dc.typeJournal Articleen_AU
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