Surface melting of the vortex lattice

We discuss the effect of an (ab)-surface on the melting transition of the pancake-vortex lattice in a layered superconductor within a density functional theory approach. Both discontinuous and continuous surface melting are predicted for this system, although the latter scenario occupies the major part of the low-field phase diagram. The formation of a quasi-liquid layer below the bulk melting temperature inhibits the appearance of a superheated solid phase, yielding an asymmetric hysteretic behavior which has been seen in experiments.Comment: 4 pages, 3 figure

Free energies, vacancy concentrations and density distribution anisotropies in hard--sphere crystals: A combined density functional and simulation study

We perform a comparative study of the free energies and the density distributions in hard sphere crystals using Monte Carlo simulations and density functional theory (employing Fundamental Measure functionals). Using a recently introduced technique (Schilling and Schmid, J. Chem. Phys 131, 231102 (2009)) we obtain crystal free energies to a high precision. The free energies from Fundamental Measure theory are in good agreement with the simulation results and demonstrate the applicability of these functionals to the treatment of other problems involving crystallization. The agreement between FMT and simulations on the level of the free energies is also reflected in the density distributions around single lattice sites. Overall, the peak widths and anisotropy signs for different lattice directions agree, however, it is found that Fundamental Measure theory gives slightly narrower peaks with more anisotropy than seen in the simulations. Among the three types of Fundamental Measure functionals studied, only the White Bear II functional (Hansen-Goos and Roth, J. Phys.: Condens. Matter 18, 8413 (2006)) exhibits sensible results for the equilibrium vacancy concentration and a physical behavior of the chemical potential in crystals constrained by a fixed vacancy concentration.Comment: 17 pages, submitted to Phys. Rev.

Surface Melting of the Vortex Lattice in Layered Superconductors: Density Functional Theory

We study the effects of an $ab$-surface on the vortex-solid to vortex-liquid transition in layered superconductors in the limit of vanishing inter-layer Josephson coupling. We derive the interaction between pancake vortices in a semi-infinite sample and adapt the density functional theory of freezing to this system. We obtain an effective one-component order-parameter theory which can be used to describe the effects of the surface on vortex-lattice melting. Due to the absence of protecting layers in the neighbourhood of the surface, the vortex lattice formed near the surface is more susceptible to thermal fluctuations. Depending on the value of the magnetic field, we predict either a continuous or a discontinuous surface melting transition. For intermediate values of the magnetic field, the surface melts continuously, assisting the formation of the liquid phase and suppressing hysteresis above the melting transition, a prediction consistent with experimental results. For very low and very high magnetic fields, the surface melts discontinuously. The two different surface melting scenarios are separated by two surface multicritical points, which we locate on the melting line.Comment: 16 pages, 12 figure

Melting of Hard Cubes

The melting transition of a system of hard cubes is studied numerically both in the case of freely rotating cubes and when there is a fixed orientation of the particles (parallel cubes). It is shown that freelly rotating cubes melt through a first-order transition, whereas parallel cubes have a continuous transition in which positional order is lost but bond-orientational order remains finite. This is interpreted in terms of a defect-mediated theory of meltingComment: 5 pages, 3 figures included. To appear in Phys. Rev.

Temperature Evolution of Sodium Nitrite Structure in a Restricted Geometry

The NaNO$_{2}$ nanocomposite ferroelectric material in porous glass was studied by neutron diffraction. For the first time the details of the crystal structure including positions and anisotropic thermal parameters were determined for the solid material, embedded in a porous matrix, in ferro- and paraelectric phases. It is demonstrated that in the ferroelectric phase the structure is consistent with bulk data but above transition temperature the giant growth of amplitudes of thermal vibrations is observed, resulting in the formation of a "premelted state". Such a conclusion is in a good agreement with the results of dielectric measurements published earlier.Comment: 4 pages, 4 figure

Giga-Hertz quantized charge pumping in bottom gate defined InAs nanowire quantum dots

Semiconducting nanowires (NWs) are a versatile, highly tunable material platform at the heart of many new developments in nanoscale and quantum physics. Here, we demonstrate charge pumping, i.e., the controlled transport of individual electrons through an InAs NW quantum dot (QD) device at frequencies up to $1.3\,$GHz. The QD is induced electrostatically in the NW by a series of local bottom gates in a state of the art device geometry. A periodic modulation of a single gate is enough to obtain a dc current proportional to the frequency of the modulation. The dc bias, the modulation amplitude and the gate voltages on the local gates can be used to control the number of charges conveyed per cycle. Charge pumping in InAs NWs is relevant not only in metrology as a current standard, but also opens up the opportunity to investigate a variety of exotic states of matter, e.g. Majorana modes, by single electron spectroscopy and correlation experiments.Comment: 21 page

Isomorphs, hidden scale invariance, and quasiuniversality

This paper first establishes an approximate scaling property of the potential-energy function of a classical liquid with good isomorphs (a Roskilde-simple liquid). This "pseudohomogeneous" property makes explicit that - and in which sense - such a system has a hidden scale invariance. The second part gives a potential-energy formulation of the quasiuniversality of monatomic Roskilde-simple liquids, which was recently rationalized in terms of the existence of a quasiuniversal single-parameter family of reduced-coordinate constant-potential-energy hypersurfaces [J. C. Dyre, Phys. Rev. E 87, 022106 (2013)]. The new formulation involves a quasiuniversal reduced-coordinate potential-energy function. A few consequences of this are discussed

Simplicity of condensed matter at its core: Generic definition of a Roskilde-simple system

The theory of isomorphs is reformulated by defining Roskilde-simple systems (those with isomorphs) by the property that the order of the potential energies of configurations at one density is maintained when these are scaled uniformly to a different density. Isomorphs remain curves in the thermodynamic phase diagram along which structure, dynamics, and excess entropy are invariant, implying that the phase diagram is effectively one-dimensional with respect to many reduced-unit properties. In contrast to the original formulation of the isomorph theory, however, the density-scaling exponent is not exclusively a function of density and the isochoric heat capacity is not an exact isomorph invariant. A prediction is given for the latter quantity's variation along the isomorphs. Molecular dynamics simulations of the Lennard-Jones and Lennard-Jones Gaussian systems validate the new approach

Isomorph invariance of the structure and dynamics of classical crystals

This paper shows by computer simulations that some crystalline systems have curves in their thermodynamic phase diagrams, so-called isomorphs, along which structure and dynamics in reduced units are invariant to a good approximation. The crystals are studied in a classical-mechanical framework, which is generally a good description except significantly below melting. The existence of isomorphs for crystals is validated by simulations of particles interacting via the Lennard-Jones pair potential arranged into a face-centered cubic (FCC) crystalline structure; the slow vacancy-jump dynamics of a defective FCC crystal is also shown to be isomorph invariant. In contrast, a NaCl crystal model does not exhibit isomorph invariances. Other systems simulated, though in less detail, are the Wahnstrom binary Lennard-Jones crystal with the ${\rm MgZn_2}$ Laves crystal structure, monatomic FCC crystals of particles interacting via the Buckingham pair potential and via a novel purely repulsive pair potential diverging at a finite separation, an ortho-terphenyl molecular model, and SPC/E hexagonal ice. Except for NaCl and ice, the crystals simulated all have isomorphs. Based on these findings and previous simulations of liquid models, we conjecture that crystalline solids with isomorphs include most or all formed by atoms or molecules interacting via metallic or van der Waals forces, whereas covalently- or hydrogen-bonded crystals are not expected to have isomorphs. Crystals of ions or dipolar molecules constitute a limiting case for which isomorphs are only expected when the Coulomb interactions are relatively weak. We briefly discuss the consequences of the findings for theories of melting and crystallization

Contribution to the understanding of tribological properties of graphite intercalation compounds with metal chloride

Intrinsic tribological properties of lamellar compounds are usually attributed to the presence of van der Waals gaps in their structure through which interlayer interactions are weak. The controlled variation of the distances and interactions between graphene layers by intercalation of electrophilic species in graphite is used in order to explore more deeply the friction reduction properties of low-dimensional compounds. Three graphite intercalation compounds with antimony pentachloride, iron trichloride and aluminium trichloride are studied. Their tribological properties are correlated to their structural parameters, and the interlayer interactions are deduced from ab initio bands structure calculations