The structure of di-valent and tri-valent metals

Pseudopotential and second order perturbation theory applied to divalent and trivalent metal structure

Why do gallium clusters have a higher melting point than the bulk?

Density functional molecular dynamical simulations have been performed on Ga$_{17}$ and Ga$_{13}$ clusters to understand the recently observed higher-than-bulk melting temperatures in small gallium clusters [Breaux {\em et al.}, Phys. Rev. Lett. {\bf 91}, 215508 (2003)]. The specific-heat curve, calculated with the multiple-histogram technique, shows the melting temperature to be well above the bulk melting point of 303 K, viz. around 650 K and 1400 K for Ga$_{17}$ and Ga$_{13}$, respectively. The higher-than-bulk melting temperatures are attributed mainly to the covalent bonding in these clusters, in contrast with the covalent-metallic bonding in the bulk.Comment: 4 pages, including 6 figures. accepted for publication in Phys. Rev. Let

Competition between Kondo screening and quantum Hall edge reconstruction

We report on a Kondo correlated quantum dot connected to two-dimensional leads where we demonstrate the renormalization of the g-factor in the pure Zeeman case i.e, for magnetic fields parallel to the plane of the quantum dot. For the same system we study the influence of orbital effects by investigating the quantum Hall regime i.e. a perpendicular magnetic field is applied. In this case an unusual behaviour of the suppression of the Kondo effect and of the split zero-bias anomaly is observed. The splitting decreases with magnetic field and shows discontinuous changes which are attributed to the intricate interplay between Kondo screening and the quantum Hall edge structure originating from electrostatic screening. This edge structure made up of compressible and incompressible stripes strongly affects the Kondo temperature of the quantum dot and thereby influences the renormalized g-factor

The Structure of Barium in the hcp Phase Under High Pressure

Recent experimental results on two hcp phases of barium under high pressure show interesting variation of the lattice parameters. They are here interpreted in terms of electronic structure calculation by using the LMTO method and generalized pseudopotential theory (GPT) with a NFE-TBB approach. In phase II the dramatic drop in c/a is an instability analogous to that in the group II metals but with the transfer of s to d electrons playing a crucial role in Ba. Meanwhile in phase V, the instability decrease a lot due to the core repulsion at very high pressure. PACS numbers: 62.50+p, 61.66Bi, 71.15.Ap, 71.15Hx, 71.15LaComment: 29 pages, 8 figure

Investigation of medium and high temperature phase change materials

A detailed description of the programs for acquisition and analysis of the test results is given. Basically it concerns three programs. The TEST program controls the recording of the test data. With the THELLI program it is possible to follow the temperature curve recorded for each individual thermoelement during the test. With the AUSW program the test data can be analyzed, to determine, for example, the melting point and the start of melting. The first results of the service life tests are discussed. From these it is attempted to draw inferences for the subsequent tests. An attempt is made to focus on the determination of the area-related mass loss, the reduction in thickness and the corrosion rate as well as optical and scanning electron microscope evaluation

Phase diagram and spin Hamiltonian of weakly-coupled anisotropic S=1/2 chains in CuCl2*2((CD3)2SO)

Field-dependent specific heat and neutron scattering measurements were used to explore the antiferromagnetic S=1/2 chain compound CuCl2 * 2((CD3)2SO). At zero field the system acquires magnetic long-range order below TN=0.93K with an ordered moment of 0.44muB. An external field along the b-axis strengthens the zero-field magnetic order, while fields along the a- and c-axes lead to a collapse of the exchange stabilized order at mu0 Hc=6T and mu0 Hc=3.5T, respectively (for T=0.65K) and the formation of an energy gap in the excitation spectrum. We relate the field-induced gap to the presence of a staggered g-tensor and Dzyaloshinskii-Moriya interactions, which lead to effective staggered fields for magnetic fields applied along the a- and c-axes. Competition between anisotropy, inter-chain interactions and staggered fields leads to a succession of three phases as a function of field applied along the c-axis. For fields greater than mu0 Hc, we find a magnetic structure that reflects the symmetry of the staggered fields. The critical exponent, beta, of the temperature driven phase transitions are indistinguishable from those of the three-dimensional Heisenberg magnet, while measurements for transitions driven by quantum fluctuations produce larger values of beta.Comment: revtex 12 pages, 11 figure

Unilaterally removing implicit subsidies for maritime fuels

Many academics and policymakers agree that implicit tax subsidies for maritime fuels — which are currently granted around the world — are inefficient, but that their abolishment requires a unanimous international agreement. Such an agreement is deemed indispensable because any unilateral action would be impossible due to massive tax competition in this industry, competitiveness effects and the legal limits on regulating an industry operating mostly in international waters, thus outside of any state’s jurisdiction. However, an international agreement to solve these problems has proven impossible to reach, thus resulting in the conservation of the status quo. To break this dead