The effect of pressure and temperature on mode-softening in negative thermal expansion materials

DOI

We have done extensive structural and computational studies on the recently discovered phenomenon of negative thermal expansion (NTE) in metal-organic framework (MOF) materials, in particular Cu3(btc)2 and Zn4O(bdc)3 (MOF-5). Through this we have obtained a clear picture of the NTE mechanism as a result of the temperature dependent softening of low energy phonons. We were able to directly observe this on a recent TOSCA experiment on MOF-5 (RB 820198) and propose a similar experiment for Cu3(btc)2. We also observed a dramatic change of the vibrational spectrum of MOF-5 with pressure, which we also propose to investigate in Cu3(btc)2.

Identifier
DOI https://doi.org/10.5286/ISIS.E.24067654
Metadata Access https://icatisis.esc.rl.ac.uk/oaipmh/request?verb=GetRecord&metadataPrefix=oai_datacite&identifier=oai:icatisis.esc.rl.ac.uk:inv/24067654
Provenance
Creator Professor Don Kearley
Publisher ISIS Neutron and Muon Source
Publication Year 2012
Rights CC-BY Attribution 4.0 International; https://creativecommons.org/licenses/by/4.0/
OpenAccess true
Contact isisdata(at)stfc.ac.uk
Representation
Resource Type Dataset
Discipline Photon- and Neutron Geosciences
Temporal Coverage Begin 2009-05-21T07:45:58Z
Temporal Coverage End 2009-05-27T07:09:12Z