Rational design of materials with extreme negative compressibility: Selective soft-mode frustration in KMn[Ag(CN) 2] 3

Andrew B. Cairns; Amber L. Thompson; Matthew G. Tucker; Julien Haines; Andrew L. Goodwin

doi:10.1021/ja204908m

Rational design of materials with extreme negative compressibility: Selective soft-mode frustration in KMn[Ag(CN) ₂] ₃

Andrew B. Cairns, Amber L. Thompson, Matthew G. Tucker, Julien Haines, Andrew L. Goodwin

Research output: Contribution to journal › Article › peer-review

121 Scopus citations

Abstract

We show that KMn[Ag(CN) ₂] ₃ exhibits the strongest negative linear compressibility (NLC) effect over the largest pressure range yet observed. Variable pressure neutron powder diffraction measurements reveal that its crystal lattice expands along the c axis of its trigonal cell under increasing hydrostatic pressure, while contracting along the a axis. This corresponds to a "wine-rack"-like mechanism for NLC that we find also results in anisotropic negative thermal expansion (NTE) in the same material. Inclusion of extra-framework K ⁺ counterions has minimal effect on framework flexibility (and hence the magnitude of NTE/NLC) but selectively frustrates the soft phonon modes responsible for destroying NLC in the related material Ag ₃[Co(CN) ₆].

Original language	English
Pages (from-to)	4454-4456
Number of pages	3
Journal	Journal of the American Chemical Society
Volume	134
Issue number	10
DOIs	https://doi.org/10.1021/ja204908m
State	Published - Mar 14 2012
Externally published	Yes

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title = "Rational design of materials with extreme negative compressibility: Selective soft-mode frustration in KMn[Ag(CN) 2] 3",

abstract = "We show that KMn[Ag(CN) 2] 3 exhibits the strongest negative linear compressibility (NLC) effect over the largest pressure range yet observed. Variable pressure neutron powder diffraction measurements reveal that its crystal lattice expands along the c axis of its trigonal cell under increasing hydrostatic pressure, while contracting along the a axis. This corresponds to a {"}wine-rack{"}-like mechanism for NLC that we find also results in anisotropic negative thermal expansion (NTE) in the same material. Inclusion of extra-framework K + counterions has minimal effect on framework flexibility (and hence the magnitude of NTE/NLC) but selectively frustrates the soft phonon modes responsible for destroying NLC in the related material Ag 3[Co(CN) 6].",

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T2 - Selective soft-mode frustration in KMn[Ag(CN) 2] 3

AU - Cairns, Andrew B.

AU - Thompson, Amber L.

AU - Tucker, Matthew G.

AU - Haines, Julien

AU - Goodwin, Andrew L.

PY - 2012/3/14

Y1 - 2012/3/14

N2 - We show that KMn[Ag(CN) 2] 3 exhibits the strongest negative linear compressibility (NLC) effect over the largest pressure range yet observed. Variable pressure neutron powder diffraction measurements reveal that its crystal lattice expands along the c axis of its trigonal cell under increasing hydrostatic pressure, while contracting along the a axis. This corresponds to a "wine-rack"-like mechanism for NLC that we find also results in anisotropic negative thermal expansion (NTE) in the same material. Inclusion of extra-framework K + counterions has minimal effect on framework flexibility (and hence the magnitude of NTE/NLC) but selectively frustrates the soft phonon modes responsible for destroying NLC in the related material Ag 3[Co(CN) 6].

AB - We show that KMn[Ag(CN) 2] 3 exhibits the strongest negative linear compressibility (NLC) effect over the largest pressure range yet observed. Variable pressure neutron powder diffraction measurements reveal that its crystal lattice expands along the c axis of its trigonal cell under increasing hydrostatic pressure, while contracting along the a axis. This corresponds to a "wine-rack"-like mechanism for NLC that we find also results in anisotropic negative thermal expansion (NTE) in the same material. Inclusion of extra-framework K + counterions has minimal effect on framework flexibility (and hence the magnitude of NTE/NLC) but selectively frustrates the soft phonon modes responsible for destroying NLC in the related material Ag 3[Co(CN) 6].

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JF - Journal of the American Chemical Society

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Rational design of materials with extreme negative compressibility: Selective soft-mode frustration in KMn[Ag(CN) ₂] ₃

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