Lattice effects in the quasi-two-dimensional valence-bond-solid Mott insulator EtMe3_3P[Pd(dmit)2_2]2_2

The organic charge-transfer salt EtMe$_3$P[Pd(dmit)$_2$]$_2$ is a quasi-two-dimensional Mott insulator with localized spins $S$ = 1/2 residing on a distorted triangular lattice. Here we report measurements of the uniaxial thermal expansion coefficients $\alpha_i$ along the in-plane $i$ = $a$- and $c$-axis as well as along the out-of-plane $b$-axis for temperatures 1.4\,K $\leq$T$\leq$ 200\,K. Particular attention is paid to the lattice effects around the phase transition at $T_{VBS}$ = 25\,K into a low-temperature valence-bond-solid phase and the paramagnetic regime above where effects of short-range antiferromagnetic correlations can be expected. The salient results of our study include (i) the observation of strongly anisotropic lattice distortions accompanying the formation of the valence-bond-solid, and (ii) a distinct maximum in the thermal expansion coefficients in the paramagnetic regime around 40\,K. Our results demonstrate that upon cooling through $T_{VBS}$ the in-plane $c$-axis, along which the valence bonds form, contracts while the second in-plane $a$-axis elongates by the same relative amount. Surprisingly, the dominant effect is observed for the out-of-plane $b$-axis which shrinks significantly upon cooling through $T_{VBS}$. The pronounced anomaly in $\alpha_i$ around 40\,K is attributed to short-range magnetic correlations. It is argued that the position of this maximum, relative to that in the magnetic susceptibility around 70\,K, speaks in favor of a more anisotropic triangular-lattice scenario for this compound than previously thought.Comment: 6 pages, 4 figures, submitted to Phys. Rev.

Field-induced length changes in the spin-liquid candidate κ\kappa-(BEDT-TTF)2_2Cu2_2(CN)3_3

Measurements of the coefficient of thermal expansion on the spin-liquid candidate $\kappa$-(BEDT-TTF)$_2$Cu$_2$(CN)$_3$ have revealed distinct and strongly anisotropic lattice effects around 6 K - a possible spin-liquid instability. In order to study the effects of a magnetic field on the low-temperature spin-liquid state, dilatometric measurements have been conducted both as a function of temperature at \emph{B} = const. and as a function of field at \emph{T} = const. While the 6 K anomaly is found to be insensitive to magnetic fields \emph{B} $\leq$ 10 T, the maximum field applied, surprisingly strong \emph{B}-induced effects are observed for magnetic fields applied along the in-plane \emph{b}-axis. Above a threshold field of 0.5 T < \emph{B}$_c$ $\leq$ 1 T, a jump-like anomaly is observed in the \emph{b}-axis lattice parameter. This anomaly, which is located at 8.7 K at \emph{B} = 1 T, grows in size and shifts to lower temperatures with increasing the magnetic field. Although the anomaly bears resemblance to a first-order phase transition, the lack of hysteresis suggests otherwise.Comment: 3 pages, 3 figures, proceedings of ISCOM 2011, physica status solidi (c)(in press

Low-temperature lattice effects in the spin-liquid candidate κ\kappa-(BEDT-TTF)2_2Cu2_2(CN)3_3

The quasi-two-dimensional organic charge-transfer salt $\kappa$-(BEDT-TTF)$_2$Cu$_2$(CN)$_3$ is one of the prime candidates for a quantum spin-liquid due the strong spin frustration of its anisotropic triangular lattice in combination with its proximity to the Mott transition. Despite intensive investigations of the material's low-temperature properties, several important questions remain to be answered. Particularly puzzling are the 6\,K anomaly and the enigmatic effects observed in magnetic fields. Here we report on low-temperature measurements of lattice effects which were shown to be particularly strongly pronounced in this material (R. S. Manna \emph{et al.}, Phys. Rev. Lett. \textbf{104}, 016403 (2010)). A special focus of our study lies on sample-to-sample variations of these effects and their implications on the interpretation of experimental data. By investigating overall nine single crystals from two different batches, we can state that there are considerable differences in the size of the second-order phase transition anomaly around 6\,K, varying within a factor of 3. In addition, we find field-induced anomalies giving rise to pronounced features in the sample length for two out of these nine crystals for temperatures $T <$ 9 K. We tentatively assign the latter effects to $B$-induced magnetic clusters suspected to nucleate around crystal imperfections. These $B$-induced effects are absent for the crystals where the 6\,K anomaly is most strongly pronounced. The large lattice effects observed at 6\,K are consistent with proposed pairing instabilities of fermionic excitations breaking the lattice symmetry. The strong sample-to-sample variation in the size of the phase transition anomaly suggests that the conversion of the fermions to bosons at the instability is only partial and to some extent influenced by not yet identified sample-specific parameters

On the computational complexity of dynamic slicing problems for program schemas

This is the preprint version of the Article - Copyright @ 2011 Cambridge University PressGiven a program, a quotient can be obtained from it by deleting zero or more statements. The field of program slicing is concerned with computing a quotient of a program that preserves part of the behaviour of the original program. All program slicing algorithms take account of the structural properties of a program, such as control dependence and data dependence, rather than the semantics of its functions and predicates, and thus work, in effect, with program schemas. The dynamic slicing criterion of Korel and Laski requires only that program behaviour is preserved in cases where the original program follows a particular path, and that the slice/quotient follows this path. In this paper we formalise Korel and Laski's definition of a dynamic slice as applied to linear schemas, and also formulate a less restrictive definition in which the path through the original program need not be preserved by the slice. The less restrictive definition has the benefit of leading to smaller slices. For both definitions, we compute complexity bounds for the problems of establishing whether a given slice of a linear schema is a dynamic slice and whether a linear schema has a non-trivial dynamic slice, and prove that the latter problem is NP-hard in both cases. We also give an example to prove that minimal dynamic slices (whether or not they preserve the original path) need not be unique.This work was partly supported by the Engineering and Physical Sciences Research Council, UK, under grant EP/E002919/1

High-resolution thermal expansion measurements under Helium-gas pressure

We report on the realization of a capacitive dilatometer, designed for high-resolution measurements of length changes of a material for temperatures 1.4 K $\leq T \leq$ 300 K and hydrostatic pressure $P \leq$ 250 MPa. Helium ($^4$He) is used as a pressure-transmitting medium, ensuring hydrostatic-pressure conditions. Special emphasis has been given to guarantee, to a good approximation, constant-pressure conditions during temperature sweeps. The performance of the dilatometer is demonstrated by measurements of the coefficient of thermal expansion at pressures $P \simeq$ 0.1 MPa (ambient pressure) and 104 MPa on a single crystal of azurite, Cu$_3$(CO$_3$)$_2$(OH)$_2$, a quasi-one-dimensional spin S = 1/2 Heisenberg antiferromagnet. The results indicate a strong effect of pressure on the magnetic interactions in this system.Comment: 8 pages, 7 figures, published in Rev. Sci. Instrum with minor change

How Does Chemistry Influence Liquid Wettability on Liquid-Infused Porous Surface?

Design of Nepenthes pitcher-inspired slippery liquid-infused porous surface (SLIPS) appeared as an important avenue for various potential and practically relevant applications. In general, hydrophobic base layers were infused with selected liquid lubricants for developing chemically inert SLIPS. Here, in this current study, an inherently hydrophilic (soaked beaded water droplet with ∼20° within a couple of minutes), porous and thick (above 200 μm) polymeric coating, loaded with readily chemically reactive acrylate moieties yielded a chemically reactive SLIPS, where residual acrylate groups in the synthesized hydrophilic and porous interface rendered stability to the infused lubricants. The chemically reactive SLIPS is capable of reacting with the solution of primary amine-containing nucleophiles in organic solvent through 1,4-conjugate addition reaction, both in the presence (referred as “in situ” modification) and absence (denoted as pre-modification) of lubricated phase in the porous polymeric coating. Such amine reactive SLIPS was further extended to (1) examining the impact of different chemical modifications on the performance of SLIPS and (2) developing a spatially selective and “in situ” postmodification with primary amine-containing nucleophiles through 1,4-conjugate addition reaction. Moreover, the chemically reactive SLIPS was capable of sustaining various physical abrasions and prolonged (minimum 10 days) exposure to complex and harsh aqueous phases, where infused lubricants protect the residual acrylate groups from harsh aqueous exposures. Such, principle will be certainly useful for spatially selective covalent immobilization of water-insoluble functional molecules/polymers directly from organic solvents, which would be of potential interest for various applied and fundamental contexts

Decidability of strong equivalence for subschemas of a class of linear, free, near-liberal program schemas

The article attached is a preprint version of the final published article which can be accessed at the link below. The article title has been changed. For referencing purposes please use the published details. Copyright © 2010 Elsevier B.V. All rights reserved.A program schema defines a class of programs, all of which have identical statement structure, but whose functions and predicates may differ. A schema thus defines an entire class of programs according to how its symbols are interpreted. Two schemas are strongly equivalent if they always define the same function from initial states to final states for every interpretation. A subschema of a schema is obtained from a schema by deleting some of its statements. A schema S is liberal if there exists an initial state in the Herbrand domain such that the same term is not generated more than once along any executable path through S. In this paper, we introduce near-liberal schemas, in which this non-repeating condition applies only to terms not having the form g() for a constant function symbol g. Given a schema S that is linear (no function or predicate symbol occurs more than once in S) and a variable v, we compute a set of function and predicate symbols in S which is a subset of those defined by Weiser's slicing algorithm and prove that if for every while predicate q in S and every constant assignment w:=g(); lying in the body of q, no other assignment to w also lies in the body of q, our smaller symbol set defines a correct subschema of S with respect to the final value of v after execution. We also prove that if S is also free (every path through S is executable) and near-liberal, it is decidable which of its subschemas are strongly equivalent to S. For the class of pairs of schemas in which one schema is a subschema of the other, this generalises a recent result in which S was required to be linear, free and liberal.This work was supported by a grant from the Engineering and Physical Sciences Research Council, Grant EP/E002919/1

Lattice strain accompanying the colossal magnetoresistance effect in EuB6_6

The coupling of magnetic and electronic degrees of freedom to the crystal lattice in the ferromagnetic semimetal EuB$_6$, which exhibits a complex ferromagnetic order and a colossal magnetoresistance (CMR) effect, %, very likely involving magnetic polarons, is studied by high-resolution thermal expansion and magnetostriction experiments. EuB$_6$ may be viewed as a model system, where pure magnetism-tuned transport and the response of the crystal lattice can be studied in a comparatively simple environment,i.e., not influenced by strong crystal-electric field effects and Jahn-Teller distortions. We find a very large lattice response, quantified by (i) the magnetic Gr\"uneisen parameter, (ii) the spontaneous strain when entering the ferromagnetic region and (iii) the magnetostriction in the paramagnetic temperature regime. Our analysis reveals that a significant part of the lattice effects originates in the magnetically-driven delocalization of charge carriers, consistent with the scenario of percolating magnetic polarons. A strong effect of the formation and dynamics of local magnetic clusters on the lattice parameters is suggested to be a general feature of CMR materials.Comment: 5 pages and 3 figure

Characterizing minimal semantics-preserving slices of predicate-linear, free, liberal program schemas

This is a preprint version of the article - Copyright @ 2011 ElsevierA program schema defines a class of programs, all of which have identical statement structure, but whose functions and predicates may differ. A schema thus defines an entire class of programs according to how its symbols are interpreted. A subschema of a schema is obtained from a schema by deleting some of its statements. We prove that given a schema S which is predicate-linear, free and liberal, such that the true and false parts of every if predicate satisfy a simple additional condition, and a slicing criterion defined by the final value of a given variable after execution of any program defined by S, the minimal subschema of S which respects this slicing criterion contains all the function and predicate symbols ‘needed’ by the variable according to the data dependence and control dependence relations used in program slicing, which is the symbol set given by Weiser’s static slicing algorithm. Thus this algorithm gives predicate-minimal slices for classes of programs represented by schemas satisfying our set of conditions. We also give an example to show that the corresponding result with respect to the slicing criterion defined by termination behaviour is incorrect. This complements a result by the authors in which S was required to be function-linear, instead of predicate-linear.This work was supported by a grant from the Engineering and Physical Sciences Research Council, Grant EP/E002919/1

Low-temperature structural investigations of the frustrated quantum antiferromagnets Cs2CuCl(4-x)Br(x)

Powder X-ray diffraction (PXRD) and single-crystal neutron scattering were used to study in detail the structural properties of the Cs2CuCl(4-x)Br(x) series, good realizations of layered triangular antiferromagnets. Detailed temperature-dependent PXRD reveal a pronounced anisotropy of the thermal expansion for the three different crystal directions of the orthorhombic structure without any structural phase transition down to 20 K. Remarkably, the anisotropy of the thermal expansion varies for different $x$, leading to distinct changes of the geometry of the local Cu environment as a function of temperature and composition. The refinement of the atomic positions confirms that for x=1 and 2, the Br atoms occupy distinct halogen sites in the [CuX4]-tetrahedra (X = Cl, Br). The precise structure data are used to calculate the magnetic exchange couplings using density functional methods for x=0. We observe a pronounced temperature dependence of the calculated magnetic exchange couplings, reflected in the strong sensitivity of the magnetic exchange couplings on structural details. These calculations are in good agreement with the experimentally established values for Cs2CuCl4 if one takes the low-temperature structure data as a starting point