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Kinetic Monte Carlo simulations of electrodeposition: Crossover from continuous to instantaneous homogeneous nucleation within Avrami's law

Stefan Frank、Per Arne Rikvold2006-04-03arXiv

The influence of lateral adsorbate diffusion on the dynamics of the first-order phase transition in a two-dimensional Ising lattice gas with attractive nearest-neighbor interactions is investigated by means of kinetic Monte Carlo simulations. For example, electrochemical underpotential deposition proceeds by this mech…

Materials Sciencecond-mat.stat-mechChemical Physics

Near-field spectra of quantum well excitons with non-Markovian phonon scattering

G. Mannarini、R. Zimmermann2006-04-03arXiv

The excitonic absorption spectrum for a disordered quantum well in presence of exciton-acoustic phonon interaction is treated beyond the Markov approximation. Realistic disorder exciton states are taken from a microscopic simulation, and the deformation potential interaction is implemented. The exciton Green's functio…

Materials Science

Linear Algebraic Calculation of Green's function for Large-Scale Electronic Structure Theory

R. Takayama、T. Hoshi、T. Sogabe 等 5 位作者2006-04-03arXiv

A linear algebraic method named the shifted conjugate-orthogonal-conjugate-gradient method is introduced for large-scale electronic structure calculation. The method gives an iterative solver algorithm of the Green's function and the density matrix without calculating eigenstates.The problem is reduced to independent…

Materials Science

Ferromagnetism in Co doped CeO2: Observation of a giant magnetic moment with a high Curie temperature

Ashutosh Tiwari、V. Bhosle、S. Ramachandran 等 7 位作者2006-04-03Applied Physics Letters

We report room temperature ferromagnetism in single crystal Ce1−xCoxO2−δ (x⩽0.05) films deposited on a LaAlO3(001) substrate. Films were grown by a pulsed laser deposition technique and were thoroughly characterized using x-ray diffraction, high-resolution transmission electron microscopy coupled with electron energy…

ZnO doping and propertiesCatalytic Processes in Materials ScienceMagnetic and transport properties of perovskites and related materials

A Near‐Infrared‐Fluorescent Chemodosimeter for Mercuric Ion Based on an Expanded Porphyrin

Xunjin Zhu、Shitao Fu、Wai‐Kwok Wong 等 5 位作者2006-04-03Angewandte Chemie International Edition

Running rings around mercuric ions: A [26]hexaphyrin(1.1.1.1.1.0), comprising an α,α′-bipyrrole unit and four pyrrolic and five pentafluorophenyl rings, was prepared and characterized by X-ray crystallography (see picture; N blue, F green, C black). The expanded porphyrin displays near-infrared luminescence above 900…

Molecular Sensors and Ion DetectionPorphyrin and Phthalocyanine ChemistryLuminescence and Fluorescent Materials

Thermal conductance of interfaces between highly dissimilar materials

Ho-Ki Lyeo、David G. Cahill2006-04-03OpenAlex

The thermal conductance of interfaces between materials with low Debye temperatures (Pb or Bi) and dielectrics or semiconductors with high Debye temperatures (hydrogen-terminated Si, $\mathrm{Si}{\mathrm{O}}_{2}$, the native oxide of Be, sapphire, or hydrogen-terminated diamond) is measured using time-domain thermoref…

Thermal properties of materialsThermography and Photoacoustic TechniquesThermal Radiation and Cooling Technologies

Imaging Spin Reorientation Transitions in Consecutive Atomic Co layers

Farid El Gabaly、Silvia Gallego、Carmen Munoz 等 9 位作者2006-04-02arXiv

By means of spin-polarized low-energy electron microscopy (SPLEEM) we show that the magnetic easy-axis of one to three atomic-layer thick cobalt films on ruthenium crystals changes its orientation twice during deposition: one-monolayer and three-monolayer thick films are magnetized in-plane, while two-monolayer films…

Materials Science

Mesoporous SiO2 as low-k dielectric for integration in Cu/low-k interconnect systems

S. Frühauf、Stefan E. Schulz、Thomas Geßner2006-04-01Vakuum in Forschung und Praxis

Successful integration of ultra low-k materials in Cu/low-k interconnect systems plays a key role for the next generation of highly integrated circuits of the 65 nm and 45 nm technology nodes with high operation speed. The main goal of this is the improvement of the transmission features of the interconnect system bet…

Semiconductor materials and devicesAdvanced Surface Polishing TechniquesCopper Interconnects and Reliability

Numerical simulation of dendrite growth and microsegregation formation of binary alloys during solidification process

Qiang Li、Guo Qiao-Yi、Rongde Li2006-04-01Chinese Physics

The dendrite growth and solute microsegregation of Fe-C binary alloy are simulated during solidification process by using cellular automaton method. In the model the solid fraction is deduced from the relationship among the temperature, solute concentration and curvature of the solid/liquid interface unit, which can b…

Aluminum Alloy Microstructure PropertiesSolidification and crystal growth phenomenaMetallurgy and Material Forming

Crystal Structure and Photochromism of a Novel Organic Compound Condensed by Pyrazolone with Thiosemicarbazide

Guangfei Liu、Lang Liu、Dianzeng Jia 等 4 位作者2006-04-01Chinese Journal of Chemistry

Abstract A new photochromic organic compound of thiosemicarbazone, 4‐( p ‐bromo‐ α ‐methylaminothiocarbonyl hydrazonobenzal)‐2,5‐dihydro‐3‐methyl‐5‐oxo‐1‐phenyl pyrazole, was synthesized and characterized by elemental analyses, IR, 1 H NMR spectra, and X‐ray single‐crystal diffraction analysis. The compound exhibited…

Dyeing and Modifying Textile FibersPhotochromic and Fluorescence ChemistryPhotopolymerization techniques and applications

The phenomenon of thermal magnetization of highly anisotropic single crystals

Yu. V. Tolstobrov、Н. А. Манаков、M. V. Pletneva2006-04-01Technical Physics Letters

The results of micromagnetic modeling show that the phenomenon of thermal magnetization analogous to that observed in polycrystalline samples is also possible in a highly anisotropic Nd 2 Fe 14 B single crystal. In this case, the thermal magnetization is related to a transition of the single crystal from a metastable…

Magnetic Properties and ApplicationsMagnetic Properties of AlloysGeomagnetism and Paleomagnetism Studies

Comparative crystal-chemical analysis of d-metal sulfides, selenides, and tellurides and binary compounds

Maxim V. Peskov、Vladislav A. Blatov2006-04-01Russian Journal of Inorganic Chemistry

The structures of d -metal sulfides, selenides, and tellurides containing a tetrahedral complex anion have been compared to 1573 representatives of the topological types of binary compounds with the use of the TOPOS structural topological program package. The cases of similarity between these classes of compounds are…

Crystal Structures and PropertiesX-ray Diffraction in CrystallographyChemical Thermodynamics and Molecular Structure

The thermodynamic properties of Ln2BaO4 (Ln = Sm, Dy, Ho)

Irina A. Uspenskaya、Zinaida Vakhovskaya、M. M. Efremova 等 10 位作者2006-04-01Russian Journal of Physical Chemistry A

The thermodynamic properties of the Ln 2 BaO 4 phases (Ln = Dy, Ho, Sm) were studied by the electromotive force method with a fluoride electrolyte (890–1180 K), solution calorimetry in 1.07 N hydrochloric acid at 298.15 K, and differential scanning calorimetry (298–860 K). The experimental data were jointly processed,…

Luminescence Properties of Advanced MaterialsGlass properties and applicationsNuclear materials and radiation effects

An Advanced Ferroelectric Properties of the Mn Doped Na0.5Bi4.5Ti4O15Ceramics Fabricated by Hot-Forging Method

Jin Soo Kim、Chang Won Ahn、Dae Su Lee 等 7 位作者2006-04-01Ferroelectrics

Mn doped Na0.5Bi4.5Ti4O15 (NBTM) ceramics were fabricated by ordinary firing (OF) and hot forging (HF) method. The HF(//) sample is strongly oriented to the c-axis which is confirmed by the X-ray diffraction. Dielectric constant of HF(⊥) sample at Curie temperature is about 5176 which is larger than that (416) of the…

Ferroelectric and Piezoelectric MaterialsAcoustic Wave Resonator TechnologiesDielectric materials and actuators

Thermotropic liquid crystals based on ferrocenylbiphenyl and ferrocenylterphenyl

Mikhail V. Makarov、D. A. Lemenovśkii、Alice E. Bruce 等 5 位作者2006-04-01Liquid Crystals

4′‐Ferrocenyl‐1,1′‐biphenyl‐4‐yl 4‐alkoxybenzoates Fc–(C6H4)2–OC(O)–C6H4–O–C n H2n+1 (n = 8, 10, 12) (3a–c), representing a new class of ferrocene‐containing thermotropic mesogens with nematogenic properties, were prepared. Two approaches were used for the construction of these mesogens: (i) reaction of 4′‐ferrocenyl‐…

Liquid Crystal Research AdvancementsLanthanide and Transition Metal ComplexesFerrocene Chemistry and Applications

Complex Impedance and Solid-State NMR Studies on a Novel High Proton Conductor Na-RUB-18

Shin’ichi Ishimaru、Maki Togawa、Ryuichi Ikeda 等 6 位作者2006-04-01Bulletin of the Chemical Society of Japan

Abstract Measurements of complex impedance and 2H NMR spectra were performed on a layer silicate compound, Na-RUB-18 (sodium octosilicate, NaSi4O8(OH)·nH2O), to investigate hydrogen dynamics in crystals. A high proton conductivity amounting to ca. 10−1 S m−1 was observed at room temperature under 100% relative humidit…

Advanced NMR Techniques and ApplicationsSolid-state spectroscopy and crystallographyChemical Synthesis and Characterization

Structural and magnetic properties of Sm2Fe17−xNbx (x = 0−4) alloys prepared by HDDR processes and their nitrides

Jui‐Sheng Sun、Chengsen Cui、Ying Zhang 等 6 位作者2006-04-01Rare Metals

Sm2Fe17−xNbxNy (x = 0−4) powder was synthesized by HDDR treatment and nitrogenation. The effects of partial Nb substitution for Fe on the structural and magnetic properties of Sm2Fe17−xNbx alloys and their nitrides were investigated. It was seen that Sm2(Fe, Nb)17 phase exists in both annealed and HDDR-treated Sm2Fe17…

Magnetic properties of thin filmsMagnesium Alloys: Properties and ApplicationsMagnetic Properties of Alloys

Refinement of the crystal structures of trinickel boron, Ni3B, and tripalladium boron, Pd3B

Roman Gumeniuk、H. Borrmann、A. Leithe-Jasper2006-04-01Zeitschrift für Kristallographie - New Crystal Structures

Article Refinement of the crystal structures of trinickel boron, Ni3B, and tripalladium boron, Pd3B was published on April 1, 2006 in the journal Zeitschrift für Kristallographie - New Crystal Structures (volume 221, issue 1-4).

Hydrogen Storage and MaterialsBoron and Carbon Nanomaterials ResearchInorganic Chemistry and Materials

THE CRYSTAL STRUCTURE OF PADERAITE, Cu7(X0.33Pb1.33Bi11.33) 13S22, WITH X = Cu OR Ag: NEW DATA AND INTERPRETATION

Dan Topa、Emil Makovicky2006-04-01The Canadian Mineralogist

Nous avons resolu la structure cristalline de la paděraite argentifere, dont la composition ideale serait Cu 7 (Ag 0.33 Pb 1.33 Bi 11.33 ) Σ13 S 22 , a 17.585(4), b 3.9386(9), c 28.453(7) A, p 105.41(1)°, V 1899.8(8) A 3 , groupe spatial P2 1 /m et Z = 2, provenant d'un gisement de skam a Baila Bihor en Roumanie, par…

Crystal Structures and PropertiesAdvanced Condensed Matter PhysicsMineralogy and Gemology Studies

Surface Funtionalization of Polymer Fibers by Sputter Coating

Qufu Weı、Wenzheng Xu、Hai Ye 等 4 位作者2006-04-01Journal of Industrial Textiles

Polymer fibers are widely used in many industries, ranging from filtration, composites, tissue engineering, and electronics. The surface properties of polymer fibers are of importance in these applications. The surface properties of polymer fibers can be modified by different techniques. In this study, magnetron sputt…

Surface Modification and SuperhydrophobicityAdvanced Sensor and Energy Harvesting MaterialsElectrospun Nanofibers in Biomedical Applications