Phonons and colossal thermal expansion behavior of Ag3Co(CN)6and Ag3Fe(CN)6
نویسندگان
چکیده
منابع مشابه
Colossal negative thermal expansion in reduced layered ruthenate
Large negative thermal expansion (NTE) has been discovered during the last decade in materials of various kinds, particularly materials associated with a magnetic, ferroelectric or charge-transfer phase transition. Such NTE materials have attracted considerable attention for use as thermal-expansion compensators. Here, we report the discovery of giant NTE for reduced layered ruthenate. The tota...
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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 o...
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Local structure in the colossal thermal expansion material Ag3[Co(CN)6] is studied here using a combination of neutron total scattering and reverse Monte Carlo (RMC) analysis. We show that the large thermal variations in cell dimensions occur with minimal distortion of the [Co(CN)6] coordination polyhedra, but involve significant flexing of the Co–CN–Ag–NC– Co linkages. We find real-space evide...
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We show that silver(I) hexacyanocobaltate(III), Ag3[Co(CN)6], exhibits positive and negative thermal expansion an order of magnitude greater than that seen in other crystalline materials. This framework material expands along one set of directions at a rate comparable to the most weakly bound solids known. By flexing like lattice fencing, the framework couples this to a contraction along a perp...
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We report progress towards understanding how phonon anharmonicity contributes to negative thermal expansion (NTE). Some contribution to the NTE is from "quasiharmonic" behavior, where phonon frequencies decrease as a crystal expands. A second "anharmonic" effect from phonon-phonon interactions is sometimes calculated by perturbation theory, but sometimes the anharmonic effects are too large to ...
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ژورنال
عنوان ژورنال: Journal of Physics: Condensed Matter
سال: 2012
ISSN: 0953-8984,1361-648X
DOI: 10.1088/0953-8984/24/50/505404