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Local Vibrational Mechanism for Negative Thermal Expansion: A Combined Neutron Scattering and First‐Principles Study
Author(s) -
Peterson Vanessa K.,
Kearley Gordon J.,
Wu Yue,
RamirezCuesta Anibal Javier,
Kemner Ewout,
Kepert Cameron J.
Publication year - 2010
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/anie.200903366
Subject(s) - redistribution (election) , mechanism (biology) , neutron scattering , thermal , vibration , physics , raising (metalworking) , neutron , scattering , deformation (meteorology) , negative thermal expansion , computer science , crystallography , chemistry , thermal expansion , nuclear physics , mechanical engineering , optics , political science , thermodynamics , quantum mechanics , law , engineering , meteorology , politics
Ask the locals : Dynamic deformation of the dicopper tetracarboxylate paddlewheel unit within a metal–organic framework from square‐prismatic (see picture, left) to distorted (right) 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.