Supercooled plastic crystals as frustrated elastic domains: Phenomenological theory for cyanoadamantane-family crystals

Luty, Tadeusz; Rohleder, Krzysztof; Jacques, Laurent; Descamps, Marc

doi:10.1103/physrevb.62.8835

Cited by 6 publications

(3 citation statements)

References 21 publications

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“…In fact in a recent numerical calculation [5] on three different classes of structural glasses it has been found that a spans from 1.5 to 4 depending on the degree of frustration of the glass and in particular that a decreases at increasing frustration. This experimental evidence is also supported by another numerical work in which the hypothesis of frustrated elastic domain in the supercooled plastic crystal of the cyanoadamantane family is proposed [16]. Concerning the C(Q) / Q proportionality of the sound attenuation in disordered systems a microscopical interpretation is also given in Ref.…”

Section: Experimental Methods and Resultsmentioning

confidence: 67%

High frequency dynamics of an orientationally disordered molecular crystal

Angelini

Scopigno

Beraud

et al. 2006

Journal of Non-Crystalline Solids

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Section: Experimental Methods and Resultsmentioning

confidence: 67%

High frequency dynamics of an orientationally disordered molecular crystal

Angelini

Scopigno

Beraud

et al. 2006

Journal of Non-Crystalline Solids

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“…Second, at ρ II the cyanoadamantanes still cannot translate (D tr ∼ = 0), however they are able to reorientate more freely and this phase is often called 'plastic' [6,9]. For the detailed characteristics, significance and applications of the crystalline plastic phase, see [18,19] and references therein.…”

Section: Discussion and Resultsmentioning

confidence: 99%

A molecular dynamics study of a fullerene-cyanoadamantane mixture

Pałucha

Kaczor

Gburski

2002

J. Phys.: Condens. Matter

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We use a molecular dynamics method to simulate the relaxation processes of cyanoadamantane molecules in a fullerene environment, for two densities and several temperatures (over the range 400-2000 K). The interactions between the C60 molecules were modelled using the approach proposed by Girifalco. Cyanoadamantane molecules were represented by a rigid three-site model. The dynamics of molecules in the system have been studied by inspecting the plots of the translational Cv(t) and angular Cω(t) velocity autocorrelation functions, their Fourier transforms, and the temperature dependences of the corresponding diffusion coefficients. We have found two kinds of rotational dynamics of the cyanoadamantane molecule in the solid phase of the mixture studied.

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“…25) Additionally, in the [Fe(2pic) 3 ]Cl 2 ÁEtOH compound, orientational order/disorder of EtOH molecules modifies the elastic properties and influence an ability of ligands to deform around the Fe þ2 ions. Thus, for the thermal transition, the effective quasi-anti-ferromagnetic coupling between sublattices results from the anti-ferroelastic coupling.…”

Section: Discussionmentioning

confidence: 99%

On Thermo- and Photo-Induced Symmetry-Broken Transformation in Spin–Crossover Complex: Cooperative Activation

Luty

Yonemitsu

2004

J. Phys. Soc. Jpn.

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We study energetics of a cooperative low-spin (L) to high-spin (H) transformation in a crystal with two sublattices, where thermo-and photo-induced symmetry-broken phases have been recently observed. The model takes into account an intra-dimer antiferromatic coupling and inter-dimer couplings. Cooperative activation processes for switching between LH and HL states and that from LL to HH states of a dimer are analyzed. It is shown that locally (within a dimer) preferred symmetry-broken, LH and HL, states compete with inter-dimer couplings, which stimulates dynamical disorder via a decrease in the energy barrier for a flip between asymmetric configurations. On the other hand, a locally non-preferred symmetric state (HH) is supported by inter-dimer interaction via a cooperative activation mechanism. We conclude that symmetry-broken states can form an intermediate thermo-induced phase or can be observed as a photo-induced one at low temperatures as a result of local equilibrium. The global equilibrium follows from cooperative interaction and governs the thermo-induced re-entrant phase transition.

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Supercooled plastic crystals as frustrated elastic domains: Phenomenological theory for cyanoadamantane-family crystals

Cited by 6 publications

References 21 publications

High frequency dynamics of an orientationally disordered molecular crystal

High frequency dynamics of an orientationally disordered molecular crystal

A molecular dynamics study of a fullerene-cyanoadamantane mixture

On Thermo- and Photo-Induced Symmetry-Broken Transformation in Spin–Crossover Complex: Cooperative Activation

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