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Towards realistic electronic structure calculations of strongly correlated electron systems

V. S. Oudovenko、G. Palsson、K. Haule 等 5 位作者2004-09-21arXiv

We review some aspects of the realistic implementation of the dynamical mean-field method. We extend the techniques introduced in Ref.[A. Georges, G. Kotliar, W. Krauth, and M.J. Rozenberg, Rev. Mod. Phys. 68, 13 (1996)] to include the calculations of transport coefficients. The approach is illustrated on La_{1-x}Sr_x…

Materials ScienceStrongly Correlated Electrons

Electronic structure of nanocones of boron nitrite

Sergio Azevedo、Mario S. C. Mazzoni、H. Chacham 等 4 位作者2004-09-21arXiv

We apply first-principles calculations to study the electronic structure of boron nitride nanocones with disclinations of different angles $θ=nπ/3$. Nanocones with odd values of $n$ present antiphase boundaries that cause a reduction of the work function of the nanocones, relative to the bulk BN value, by as much as 2…

Materials Science

Structural Effects on the High Temperature Adsorption of CO2 on a Synthetic Hydrotalcite

Nick D. Hutson、Scott A. Speakman、E. Andrew Payzant2004-09-21Chemistry of Materials

Hydrotalcite-like compounds (HTlcs) are solid sorbents that may potentially be used for high-temperature separation and capture of CO 2 . The high-temperature adsorption of CO 2 on Mg−Al−CO 3 HTlc is affected by structural changes that take place upon heating of the material. The structural changes of a synthetic HTlc…

Layered Double Hydroxides Synthesis and ApplicationsThermal Expansion and Ionic ConductivitySupercapacitor Materials and Fabrication

Towards Highly Fluorescent and Water‐Soluble Perylene Dyes

Christopher Kohl、Tanja Weil、Jianqiang Qu 等 4 位作者2004-09-21Chemistry - A European Journal

A systematic approach towards highly fluorescent, water-soluble perylene-3,4:9,10-tetracarboxylic acid diimide chromophores is presented. Water solubility was introduced first through the attachment of four hydrophilic substituents onto the bay region of the perylene dye. Positively and negatively charged groups were…

Organic Electronics and PhotovoltaicsAnalytical Chemistry and SensorsLuminescence and Fluorescent Materials

Bulk Synthesis of Polypyrrole Nanofibers by a Seeding Approach

Xinyu Zhang、Sanjeev K. Manohar2004-09-21Journal of the American Chemical Society

The morphology of doped polypyrrole.Cl powder changes dramatically from granular to nanofibrillar when a very small amount (1-4 mg) of V2O5 nanofibers are added to a chemical oxidative polymerization of pyrrole in aq 1.0 M HCl using (NH4)2S2O8 as the oxidant. Unlike the polyaniline system, a key synthetic requirement…

Advanced Sensor and Energy Harvesting MaterialsConducting polymers and applicationsSupercapacitor Materials and Fabrication

The RR Lyrae Period‐Luminosity Relation. I. Theoretical Calibration

M. Catelan、B. J. Pritzl、Horace A. Smith2004-09-21OpenAlex

We present a theoretical calibration of the RR Lyrae period-luminosity (PL) relation in the UBVRIJHK Johnson-Cousins-Glass system. Our theoretical work is based on calculations of synthetic horizontal branches (HBs) for several different metallicities, fully taking into account evolutionary effects besides the effect…

Calibration and Measurement TechniquesPhotochemistry and Electron Transfer StudiesGlass properties and applications

Synthesis and Characterization of Dendrimer Templated Supported Bimetallic Pt−Au Nanoparticles

Huifang Lang、Stephen Maldonado、Keith J. Stevenson 等 4 位作者2004-09-21OpenAlex

Bimetallic dendrimer-stabilized nanoparticles (DSNs) were used to prepare supported Pt-Au catalysts within the bulk miscibility gap for this binary system. Hydroxy-terminated generation 5 PAMAM dendrimers were used to prepare Cu(0) nanoparticles (NPs). The Cu(0) NPs were subsequently used to reduce K(2)PtCl(4) and HAu…

Catalysis and Hydrodesulfurization StudiesDendrimers and Hyperbranched PolymersCatalytic Processes in Materials Science

Molluscan shell proteins

Frédéric Marin、Gilles Luquet2004-09-21OpenAlex

The shell secreted by molluscs is one of the most remarkable examples of a matrix-mediated mineralisation performed outside living tissues. The calcifying matrix is a mixture of proteins, glycoproteins, and polysaccharides that precisely self-assemble and control the CaCO3 polymorph (calcite, aragonite), the size, the…

Marine Bivalve and Aquaculture StudiesCephalopods and Marine BiologyCalcium Carbonate Crystallization and Inhibition

Review of Developments in Portable Hydrogen Production Using Microreactor Technology

Jamelyn Holladay、Yong Wang、E.O. Jones2004-09-21OpenAlex

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTReview of Developments in Portable Hydrogen Production Using Microreactor TechnologyJamelyn D. Holladay, Yong Wang, and Evan JonesView Author Information Battelle, Pacific Northwest Division, Richland, Washington 99352 Cite this: Chem. Rev. 2004, 104, 10, 4767–4790Publicatio…

Catalytic Processes in Materials ScienceInnovative Microfluidic and Catalytic Techniques InnovationElectrocatalysts for Energy Conversion

Behavior of collagen films in presence of structure modifiers at solid–liquid interface

R. Usha、Aruna Dhathathreyan、Asit Baran Mandal 等 4 位作者2004-09-20Journal of Polymer Science Part B Polymer Physics

Abstract Films of soluble collagen extracted from rat‐tail tendon were studied at the solid–solution interface, and the surface energy of the films was evaluated. The films transferred onto solid substrates using the Langmuir–Blodgett film (LB film) technique were characterized using Fourier transform IR attenuated to…

Meat and Animal Product QualityCollagen: Extraction and CharacterizationMarine Biology and Environmental Chemistry

Clarifying the origin of near-infrared electroluminescence peaksfor nanocrystalline germanium in metal-insulator-silicon structures

E. W. H. Kan、W. K. Chim、C. H. Lee 等 5 位作者2004-09-20Applied Physics Letters

The origin of room-temperature near-infrared electroluminescence (EL) of nanocrystalline germanium (Ge) embedded in oxide was investigated. The nanocrystals were synthesized by partial oxidation of silicon-germanium, Si0.54Ge0.46, films. Under constant current density bias in accumulation and inversion, Ge nanocrystal…

Silicon Nanostructures and PhotoluminescenceNanowire Synthesis and ApplicationsSemiconductor materials and devices

First Hyperpolarizabilities of Nonlinear Optical Compounds: Susceptibility in Donor-Acceptor Stilbene Analogs

Gyoosoon Park2004-09-20Bulletin of the Korean Chemical Society

Department of Chemistry and Institute of Natural Science, Yeungnam University, Gyongsan 712-749, KoreaReceived June 18, 2004Key Words : Nonlinear optical, Hyperpolarizability, Susceptibility, Heteroaromatics, StilbeneThe nonlinear optical (NLO) responses induced in variousmaterials are of great interest in recent year…

Nonlinear Optical Materials StudiesNonlinear Optical Materials ResearchPhotorefractive and Nonlinear Optics

Raman study of phonons in K2Al2B2O7 crystals

Xiaobo Hu、J. Y. Wang、Chen Zhang 等 6 位作者2004-09-20Applied Physics Letters

A Raman scattering study of the vibrational modes in K2Al2B2O7 crystals has been performed at room temperature. The vibrational modes are classified by the nuclear site group analysis method and the internal vibrational modes are assigned to vibrations of the BO3 triangle and AlO4 tetrahedron.

Solid-state spectroscopy and crystallographyCrystal Structures and PropertiesX-ray Diffraction in Crystallography

Strategic proteome analysis of Candida magnoliae with an unsequenced genome

Hyojin Kim、Do Yup Lee、Dae‐Hee Lee 等 7 位作者2004-09-20PROTEOMICS

Erythritol is a noncariogenic, low calorie sweetener. It is safe for people with diabetes and obese people. Candida magnoliae is an industrially important organism because of its ability to produce erythritol as a major product. The genome of C. magnoliae has not been sequenced yet, limiting the available proteome dat…

Erythrocyte Function and PathophysiologyNeutrophil, Myeloperoxidase and Oxidative MechanismsEnzyme Structure and Function

Low-frequency damping behavior of CuAlMn shape memory alloy

Q. Z. Wang、Fusheng Han、Q. Wang2004-09-20physica status solidi (a)

In the present study, the damping behavior of bulk Cu–11.9Al–2.5Mn (wt%) was investigated using a multifunction internal friction apparatus through the method of forced vibration over the temperature range from room temperature to 400 °C. Two internal friction peaks are found at around 150 °C and 325 °C during heating…

Shape Memory Alloy TransformationsMetallic Glasses and Amorphous AlloysSolidification and crystal growth phenomena

Action of co-dopant in electron-trapping materials: The case of Sm3+ in Mn2+-activated zinc borosilicate glasses

Chengyu Li、Qiang Su2004-09-20Applied Physics Letters

The action of electron-trapping materials (ETMs) consists of three sequential steps, i.e., the storage, the transfer, and the release of energy. It is generally considered that the co-dopant acts as a trapping center to enhance the storage ability of ETMs, which focus on the first step. In this letter, by the abnormal…

Glass properties and applicationsLuminescence Properties of Advanced MaterialsPhotorefractive and Nonlinear Optics

Magnetic impurities in conducting oxides. II.(Sr1−xLax)(Ru1−xCox)O3system

A. Mamchik、Wojciech Dmowski、T. Egami 等 4 位作者2004-09-20Physical Review B

The perovskite solid solution between ferromagnetic ${\mathrm{SrRuO}}_{3}$ and antiferromagnetic ${\mathrm{LaCoO}}_{3}$ is studied and its structural, electronic,and magnetic properties are compared with $({\mathrm{Sr}}_{1\ensuremath{-}x}{\mathrm{La}}_{x})({\mathrm{Ru}}_{1\ensuremath{-}x}{\mathrm{Fe}}_{x}){\mathrm{O}}…

Advanced Condensed Matter PhysicsMagnetic and transport properties of perovskites and related materialsPhysics of Superconductivity and Magnetism

Magnetic impurities in conducting oxides. I.(Sr1−xLax)(Ru1−xFex)O3system

A. Mamchik、I‐Wei Chen2004-09-20Physical Review B

The perovskite solid solution between ferromagnetic ${\mathrm{SrRuO}}_{3}$ and antiferromagnetic ${\mathrm{LaFeO}}_{3}$ is studied and its structural, electronic, and magnetic properties are reported. With increasing ${\mathrm{LaFeO}}_{3}$, the solid solution forms a spin glass and undergoes, by Anderson localization,…

Advanced Condensed Matter PhysicsMultiferroics and related materialsMagnetic and transport properties of perovskites and related materials

Origin of metal-insulator transition temperature enhancement inLa0.8Ba0.2MnO3thin films as determined by structural analysis

Masaki Kanai、Hidekazu Tanaka、Tomoji Kawai2004-09-20Physical Review B

The structure and electrical transport properties of ${\mathrm{La}}_{0.8}{\mathrm{Ba}}_{0.2}\mathrm{Mn}{\mathrm{O}}_{3+\ensuremath{\delta}}$ thin films prepared on $\mathrm{Sr}\mathrm{Ti}{\mathrm{O}}_{3}$ (100) substrates are studied in an effort to clarify the origin of the metal-insulator transition temperature enha…

Advanced Condensed Matter PhysicsMagnetic and transport properties of perovskites and related materialsElectronic and Structural Properties of Oxides

Electromigration-driven motion of morphologically stable voids in metallic thin films: Universal scaling of migration speed with void size

Jaeseol Cho、M. Rauf Gungor、Dimitrios Maroudas2004-09-20Applied Physics Letters

The dependence on void size of the migration speed of morphologically stable voids that translate along metallic thin films due to surface electromigration is analyzed in finite-width films through self-consistent numerical simulations taking surface diffusional anisotropy into account. It is shown that, as the morpho…

Fluid Dynamics and Thin FilmsMagnetic properties of thin filmsCopper Interconnects and Reliability