Local vibrational mechanism for negative thermal expansion: a combined neutron scattering and first-principles study

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dc.contributor.authorPeterson, VKen_AU
dc.contributor.authorKearley, GJen_AU
dc.contributor.authorWu, Yen_AU
dc.contributor.authorRamirez-Cuesta, AJen_AU
dc.contributor.authorKemner, Een_AU
dc.contributor.authorKepert, CJen_AU
dc.date.accessioned2010-03-23T01:02:02Zen_AU
dc.date.accessioned2010-04-30T05:02:13Zen_AU
dc.date.available2010-03-23T01:02:02Zen_AU
dc.date.available2010-04-30T05:02:13Zen_AU
dc.date.issued2010-01-12en_AU
dc.date.statistics2010-01-12en_AU
dc.description.abstractAsk the locals: dynamic deformation of the dicopper tetracarboxylate paddlewheel unit within a metal-organic framework from square-prismatic to distorted occurs at very low energies. This deformation, which contributes strongly to the negative thermal expansion of this system, is a local vibration induced by a redistribution of electron density at the CuO junctions. © 2010, Wiley-VCH Verlag Berlinen_AU
dc.identifier.citationPeterson, V. K., Kearley, G. J., Wu, Y., Ramirez-Cuesta, A. J., Kemner, E., & Kepert, C. J. (2010). Local vibrational mechanism for negative thermal expansion: a combined neutron scattering and first-principles study. Angewandte Chemie International Edition, 49(3), 585-588. doi:10.1002/anie.200903366en_AU
dc.identifier.govdoc1135en_AU
dc.identifier.issn1433-7851en_AU
dc.identifier.issue3en_AU
dc.identifier.journaltitleAngewandte Chemie International Editionen_AU
dc.identifier.pagination585-588en_AU
dc.identifier.urihttp://dx.doi.org/10.1002/anie.200903366en_AU
dc.identifier.urihttp://apo.ansto.gov.au/dspace/handle/10238/2996en_AU
dc.identifier.volume49en_AU
dc.language.isoenen_AU
dc.publisherWiley-VCH Verlag Berlinen_AU
dc.subjectThermal expansionen_AU
dc.subjectScatteringen_AU
dc.subjectVibrational statesen_AU
dc.subjectDeformationen_AU
dc.subjectElectron densityen_AU
dc.subjectEnergyen_AU
dc.titleLocal vibrational mechanism for negative thermal expansion: a combined neutron scattering and first-principles studyen_AU
dc.typeJournal Articleen_AU
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