Competing hydrostatic compression mechanisms in nickel cyanide

J. Adamson; T. C. Lucas; A. B. Cairns; N. P. Funnell; M. G. Tucker; A. K. Kleppe; J. A. Hriljac; A. L. Goodwin

doi:10.1016/j.physb.2015.09.027

Competing hydrostatic compression mechanisms in nickel cyanide

J. Adamson, T. C. Lucas, A. B. Cairns, N. P. Funnell, M. G. Tucker, A. K. Kleppe, J. A. Hriljac, A. L. Goodwin

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

5 Scopus citations

Abstract

We use variable-pressure neutron and X-ray diffraction measurements to determine the uniaxial and bulk compressibilities of nickel(II) cyanide, Ni(CN)₂. Whereas other layered molecular framework materials are known to exhibit negative area compressibility, we find that Ni(CN)₂ does not. We attribute this difference to the existence of low-energy in-plane tilt modes that provide a pressure-activated mechanism for layer contraction. The experimental bulk modulus we measure is about four times lower than that reported elsewhere on the basis of density functional theory methods [Phys. Rev. B 83 (2011) 024301].

Original language	English
Pages (from-to)	35-40
Number of pages	6
Journal	Physica B: Physics of Condensed Matter
Volume	479
DOIs	https://doi.org/10.1016/j.physb.2015.09.027
State	Published - Dec 15 2015
Externally published	Yes

Funding

We gratefully acknowledge financial support from ESFUSA and St Anne's College Oxford to J.A., from the E.R.C. (Grant 279705 ) to A.B.C., N.P.F. and A.L.G. and from the E.P.S.R.C. (Grant EP/G004528/2 ) to A.L.G. We are grateful to the ISIS and Diamond Light Source facilities for access to neutron and synchrotron beamtime, respectively.

Funders	Funder number
E.P.S.R.C.
E.R.C.	279705
ESFUSA
St Anne's College Oxford
Engineering and Physical Sciences Research Council	EP/G004528/2

Keywords

Compressibility mechanisms
High-pressure crystallography
Negative area compressibility

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10.1016/j.physb.2015.09.027

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title = "Competing hydrostatic compression mechanisms in nickel cyanide",

abstract = "We use variable-pressure neutron and X-ray diffraction measurements to determine the uniaxial and bulk compressibilities of nickel(II) cyanide, Ni(CN)2. Whereas other layered molecular framework materials are known to exhibit negative area compressibility, we find that Ni(CN)2 does not. We attribute this difference to the existence of low-energy in-plane tilt modes that provide a pressure-activated mechanism for layer contraction. The experimental bulk modulus we measure is about four times lower than that reported elsewhere on the basis of density functional theory methods [Phys. Rev. B 83 (2011) 024301].",

keywords = "Compressibility mechanisms, High-pressure crystallography, Negative area compressibility",

author = "J. Adamson and Lucas, {T. C.} and Cairns, {A. B.} and Funnell, {N. P.} and Tucker, {M. G.} and Kleppe, {A. K.} and Hriljac, {J. A.} and Goodwin, {A. L.}",

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doi = "10.1016/j.physb.2015.09.027",

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T1 - Competing hydrostatic compression mechanisms in nickel cyanide

AU - Adamson, J.

AU - Lucas, T. C.

AU - Cairns, A. B.

AU - Funnell, N. P.

AU - Tucker, M. G.

AU - Kleppe, A. K.

AU - Hriljac, J. A.

AU - Goodwin, A. L.

PY - 2015/12/15

Y1 - 2015/12/15

N2 - We use variable-pressure neutron and X-ray diffraction measurements to determine the uniaxial and bulk compressibilities of nickel(II) cyanide, Ni(CN)2. Whereas other layered molecular framework materials are known to exhibit negative area compressibility, we find that Ni(CN)2 does not. We attribute this difference to the existence of low-energy in-plane tilt modes that provide a pressure-activated mechanism for layer contraction. The experimental bulk modulus we measure is about four times lower than that reported elsewhere on the basis of density functional theory methods [Phys. Rev. B 83 (2011) 024301].

AB - We use variable-pressure neutron and X-ray diffraction measurements to determine the uniaxial and bulk compressibilities of nickel(II) cyanide, Ni(CN)2. Whereas other layered molecular framework materials are known to exhibit negative area compressibility, we find that Ni(CN)2 does not. We attribute this difference to the existence of low-energy in-plane tilt modes that provide a pressure-activated mechanism for layer contraction. The experimental bulk modulus we measure is about four times lower than that reported elsewhere on the basis of density functional theory methods [Phys. Rev. B 83 (2011) 024301].

KW - Compressibility mechanisms

KW - High-pressure crystallography

KW - Negative area compressibility

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M3 - Article

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VL - 479

SP - 35

EP - 40

JO - Physica B: Physics of Condensed Matter

JF - Physica B: Physics of Condensed Matter

ER -

Competing hydrostatic compression mechanisms in nickel cyanide

Abstract

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Keywords

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