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

Please use this identifier to cite or link to this item: http://apo.ansto.gov.au/dspace/handle/10238/2996

Title:	Local vibrational mechanism for negative thermal expansion: a combined neutron scattering and first-principles study.
Authors:	Peterson, VK Kearley, GJ Wu, Y Ramirez-Cuesta, AJ Kemner, E Kepert, CJ
Keywords:	Thermal Expansion Scattering Vibrational States Deformation Electron Density Energy
Issue Date:	12-Jan-2010
Publisher:	Wiley-VCH Verlag Berlin
Citation:	Peterson, 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.
Abstract:	Ask 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 Berlin
URI:	http://dx.doi.org/10.1002/anie.200903366 http://apo.ansto.gov.au/dspace/handle/10238/2996
ISSN:	1433-7851
Appears in Collections:	Journal Articles

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