title: Acoustic phonons and negative thermal expansion in MOF-5.
abstract: The mechanism of negative thermal expansion (NTE) in MOF-5 has been studied using a rigid unit mode analysis of the phonons responsible for NTE. In addition to confirming the role of the previously proposed optic 'trampoline mode' mechanism [Lock et al., Dalton Trans., 2013, 42, 1933-2320], we have identified a new acoustic mode mechanism that makes a major contribution to the macroscopic NTE of this framework.
authors.affiliation: Department of Earth Sciences, University of Cambridge, Downing Street, Cambridge CB2 3EQ, UK.
authors.forename: Leila H N
authors.initials: LH
authors.lastname: Rimmer
authors.forename: Martin T
authors.initials: MT
authors.lastname: Dove
authors.forename: Andrew L
authors.initials: AL
authors.lastname: Goodwin
authors.forename: David C
authors.initials: DC
authors.lastname: Palmer