Ab-initio calculations of the Optical band-gap of TiO2 thin films

Titanium dioxide has been extensively studied in recent decades for its important photocatalytic application in environmental purification. The search for a method to narrow the optical band-gap of TiO2 plays a key role for enhancing its photocatalytic application. The optical band gap of epitaxial rutile and anatase TiO2 thin films deposited by helicon magnetron sputtering on sapphire and on SrTiO3 substrates was correlated to the lattice constants estimated from HRTEM images and SAED. The optical band-gap of 3.03 eV for bulk-rutile increased for the thin films to 3.37 on sapphire. The band gap of 3.20 eV for bulk-anatase increases to 3.51 on SrTiO3. In order to interpret the optical band gap expansion for both phases, ab-initio calculations were performed using the Vienna ab-initio software. The calculations for rutile as well anatase show an almost linear increase of the band gap width with decreasing volume or increasing lattice constant a. The calculated band gap fits well with the experimental values. The conclusion from these calculations is, in order to achieve a smaller band-gap for both, rutile or anatase, the lattice constants c has to be compressed, and a has to be expanded.Comment: 4 pages, 4 figures, 1 tabl

Error-resistant Single Qubit Gates with Trapped Ions

Coherent operations constitutive for the implementation of single and multi-qubit quantum gates with trapped ions are demonstrated that are robust against variations in experimental parameters and intrinsically indeterministic system parameters. In particular, pulses developed using optimal control theory are demonstrated for the first time with trapped ions. Their performance as a function of error parameters is systematically investigated and compared to composite pulses.Comment: 5 pages 5 figure

Sedimentological studies of the "Ilha de Marchantaria" in the Solimões/Amazon River near Manaus

Sedimentological studies on the Ilha de Marchantaria an island in the Amazon river near Manaus reveal the existence of four different structural main units. A: Sandy channel bars consisting of giant ripples constitute deposits for the formation of islands or newly formed areas of the Varzea. B: Gradual accumulation on the channel bars leads to the formation of point bar ridges which consist chiefly of small-scale ripples. C: Between point bar ridges of different ages there exist swales. During rising water level the river water flows from the downward side into the swales where finegrained sediments are deposited. D: Permanent lakes are formed mainly in the centre of the islands. During low water periods the lakes may be cut of from the river. During high water periods when the whole island is flooded by the river, additional sedimentation takes place especially in the upstream area of the island. There is however, extensive erosion of the banks on the upstream side of the island. By erosion of the upstream end and sedimentation processes on the downstream end the island moves slowly downstream

Integrable dynamics of a discrete curve and the Ablowitz-Ladik hierarchy

We show that the following elementary geometric properties of the motion of a discrete (i.e. piecewise linear) curve select the integrable dynamics of the Ablowitz-Ladik hierarchy of evolution equations: i) the set of points describing the discrete curve lie on the sphere S^3, ii) the distance between any two subsequant points does not vary in time, iii) the dynamics does not depend explicitly on the radius of the sphere. These results generalize to a discrete context our previous work on continuous curves.Comment: LaTeX file, 14 pages + 4 figure

FlexRiLoG -- A SageMath Package for Motions of Graphs

In this paper we present the SageMath package FlexRiLoG (short for flexible and rigid labelings of graphs). Based on recent results the software generates motions of graphs using special edge colorings. The package computes and illustrates the colorings and the motions. We present the structure and usage of the package

Noncontact modulation calorimetry of metallic liquids in low Earth orbit

Noncontact modulation calorimetry using electromagnetic heating and radiative heat loss under ultrahigh-vacuum conditions has been applied to levitated solid, liquid, and metastable liquid samples. This experiment requires a reduced gravity environment over an extended period of time and allows the measurement of several thermophysical properties, such as the enthalpy of fusion and crystallization, specific heat, total hemispherical emissivity, and effective thermal conductivity with high precision as a function of temperature. From the results on eutectic glass forming Zr-based alloys thermodynamic functions are obtained which describe the glass-forming ability of these alloys

Individual addressing of trapped ions and coupling of motional and spin states using rf radiation

Individual electrodynamically trapped and laser cooled ions are addressed in frequency space using radio-frequency radiation in the presence of a static magnetic field gradient. In addition, an interaction between motional and spin states induced by an rf field is demonstrated employing rf-optical double resonance spectroscopy. These are two essential experimental steps towards realizing a novel concept for implementing quantum simulations and quantum computing with trapped ions.Comment: Replaced with published versio

Thermodynamics of Cu47Ti34Zr11Ni8, Zr52.5Cu17.9Ni14.6Al10Ti5 and Zr57Cu15.4Ni12.6Al10Nb5 bulk metallic glass forming alloys

The differences in the thermodynamic functions between the liquid and the crystalline states of three bulk metallic glass forming alloys, Cu47Ti34Zr11Ni8, Zr52.5Cu17.9Ni14.6Al10Ti5, and Zr57Cu15.4Ni12.6Al10Nb5, were calculated. The heat capacity was measured in the crystalline solid, the amorphous solid, the supercooled liquid, and the equilibrium liquid. Using these heat capacity data and the heats of fusion of the alloys, the differences in the thermodynamic functions between the liquid and the crystalline states were determined. The Gibbs free energy difference between the liquid and the crystalline states gives a qualitative measure of the glass forming ability of these alloys. Using the derived entropy difference, the Kauzmann temperatures for these alloys were determined