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Higher Order Response in ${\cal O}(N)$ by Perturbed Projection

Valéry Weber、Anders M. N. Niklasson、Matt Challacombe2004-12-21arXiv

Perturbed projection for linear scaling solution of the coupled-perturbed self-consistent-field equations [Weber, Niklasson and Challacombe, Phys. Rev.\ Lett. {\bf 92}, 193002 (2004)] is extended to the computation of higher order static response properties. Although generally applicable, perturbed projection is devel…

cond-mat.otherMaterials Science

Even-Odd Oscillation in Conductance of Single-Row Sodium Nanowire

Y. Egami、T. Ono、K. Hirose2004-12-21arXiv

We present a first-principles calculation of the electronic conduction properties of single-row sodium nanowires suspended between semi-infinite electrodes. The conductance of the nanowire is ~1 G0 (=2e^2/h) and oscillates with a two-atom period as the number of the atoms within the nanowire varies. Moreover, we obser…

Materials Science

First-Principles Study on Electron Conduction in Sodium Nanowire

Y. Egami、T. Sasaki、T. Ono 等 4 位作者2004-12-21arXiv

We present detailed first-principles calculations of the electron-conduction properties of a three-sodium-atom nanowire suspended between semi-infinite crystalline Na(001) electrodes during its elongation. Our investigations reveal that the conductance is ~1 G0 before the nanowire breaks and only one channel with the…

Materials Sciencecond-mat.other

Optical diffraction spectroscopy of excitons in uniaxially-strained GaN films

Y. Toda、S. Adachi、Y. Abe 等 5 位作者2004-12-21arXiv

The degenerate four-wave mixing spectroscopy of uniaxially strained GaN layers is demonstrated using colinearly polarized laser pulses. The nonlinear response of FWM signal on exciton oscillator strength enhances the sensitivity for polarized exciton, allowing for mapping out the in-plane anisotropy of the strain fiel…

Materials Sciencecond-mat.other

Spin dependent transport of ``nonmagnetic metal/zigzag nanotube encapsulating magnetic atoms/nonmagnetic metal'' junctions

Satoshi Kokado、Kikuo Harigaya2004-12-21arXiv

Towards a novel magnetoresistance (MR) device with a carbon nanotube, we propose ``nonmagnetic metal/zigzag nanotube encapsulating magnetic atoms/nonmagnetic metal'' junctions. We theoretically investigate how spin-polarized edges of the nanotube and the encapsulated magnetic atoms influence on transport. When the on-…

quant-phChemical PhysicsMaterials Sciencecs.CEMesoscale and Nanoscale Physics

Smearing of phase transition due to surface effect in ferroelectric nanostructures

A. M. Bratkovsky、A. P. Levanyuk2004-12-21arXiv

The boundary conditions, customarily used in the Landau-type approach to ferroelectric thin films and nanostructures, have to be modified to take into account that a surface of a ferroelectric (FE) is a defect of a ``field'' type. The surface (interface) field is coupled to a normal component of polarization and, as a…

Materials Science

Dramatic Increases in the Lifetime of the Er3+ Ion in a Molecular Complex Using a Perfluorinated Imidodiphosphinate Sensitizing Ligand

Gaetano Mancino、Andrew J. Ferguson、Andrew Beeby 等 5 位作者2004-12-21Journal of the American Chemical Society

Dramatic increases in the luminescent lifetime of the Er3+ ion in a molecular complex have been observed by chelating the rare-earth ion with a perfluorinated imidodiphosphinate sensitizing ligand, F-tpip. For solution, powder, and evaporated thin films of Er(F-tpip)3, the average lifetimes of the 1530 nm emission ban…

Luminescence and Fluorescent MaterialsLanthanide and Transition Metal ComplexesLuminescence Properties of Advanced Materials

Generalized Fluorocarbon‐Surfactant‐Mediated Synthesis of Nanoparticles with Various Mesoporous Structures

Yu Han、Jackie Y. Ying2004-12-21Angewandte Chemie International Edition

Tunable mesostructures and ultrafine particle sizes were achieved by means of triblock-copolymer and fluorocarbon surfactants, respectively, in the hydrothermal synthesis of mesoporous silica nanoparticles. The TEM image shows one such nanoparticle with a diameter of approximately 300 nm.

Mesoporous Materials and CatalysisCatalytic Processes in Materials ScienceLayered Double Hydroxides Synthesis and Applications

Next Generation, High Relaxivity Gadolinium MRI Agents

Kenneth N. Raymond、Valérie C. Pierre2004-12-21OpenAlex

ADVERTISEMENT RETURN TO ISSUEPREVReviewNEXTNext Generation, High Relaxivity Gadolinium MRI Agents†Kenneth N. Raymond and Valérie C. PierreView Author Information Department of Chemistry, University of California, Berkeley, California 94720-1460 Cite this: Bioconjugate Chem. 2005, 16, 1, 3–8Publication Date (Web):Decem…

Lanthanide and Transition Metal ComplexesAdvanced MRI Techniques and ApplicationsAdvanced NMR Techniques and Applications

Biomedical applications of functionalised carbon nanotubes

Alberto Bianco、Kostas Kostarelos、Charalambos D. Partidos 等 4 位作者2004-12-21OpenAlex

The organic functionalisation of carbon nanotubes can improve substantially their solubility and biocompatibility profile; as a consequence, their manipulation and integration into biological systems has become possible so that functionalised carbon nanotubes hold currently strong promise as novel systems for the deli…

Nanotechnology research and applicationsCarbon Nanotubes in CompositesGraphene and Nanomaterials Applications

Study of the spectroscopic properties and infrared‐to‐visible up‐conversion fluorescence of Er3+‐doped germanate glasses

M. Ajroud、M. Haouari、H. Ben Ouada 等 6 位作者2004-12-20physica status solidi (a)

Abstract Raman scattering, optical absorption and photoluminescence studies have been performed on Er 3+ ‐doped Na 2 O–Nb 2 O 5 –GeO 2 germanate‐based glasses. The main bands in the Raman spectra involve vibrational modes associated with the germanium oxide network. Judd–Ofelt intensity parameters were determined and…

Luminescence Properties of Advanced MaterialsGlass properties and applicationsSolid State Laser Technologies

Electron probe microanalysis (EPMA) measurement of aluminum oxide film thickness in the nanometer range on aluminum sheets

Yoshio Osada2004-12-20X-Ray Spectrometry

Abstract By using Monte Carlo simulation, the thickness of an aluminum oxide film in the nanometer range on aluminum sheets given different heat treatments was determined by electron probe microanalysis (EPMA) and compared with transmission electron microscopy (TEM). The film thickness was ≤50 nm. As a result, althoug…

Surface Roughness and Optical MeasurementsSurface and Thin Film PhenomenaElectron and X-Ray Spectroscopy Techniques

Biomaterials: Historical Overview and Current Directions

Russell K. Woo、D. Denison Jenkins、Ralph S. Greco2004-12-20OpenAlex

Similarly, the National Institutes of Health consensus development conference of 1982 defined a biomaterial as “any substance other than a drug, or combination of substances, synthetic or natural in origin which can be used for any period of time as a whole or as a part of the system that treats, augments, or replaces…

Engineering and Materials Science StudiesMaterial Properties and ApplicationsAdditive Manufacturing and 3D Printing Technologies

Adhesion of an aromatic thermosetting copolyester with copper foils

Yongqing Huang、John J. McCormick、James Economy2004-12-20Polymers for Advanced Technologies

Abstract Copper foils have been widely used in microelectronic devices. Adequate adhesion between copper foils to various substrates, such as Si, SiO 2 , polyimide, is crucial to high performance of these devices. The adhesion between a new high temperature adhesive, aromatic thermosetting copolyester (ATSP), and vari…

Synthesis and properties of polymersSilicone and Siloxane ChemistryEpoxy Resin Curing Processes

Effects of molecular weight and arm number on properties of star‐shape styrene–butadiene–styrene triblock copolymer

Xiaopeng Xiong、Lina Zhang、Zhaocheng Ma 等 4 位作者2004-12-20Journal of Applied Polymer Science

Abstract A star‐shape styrene–butadiene–styrene triblock copolymer SBS (802) was synthesized and fractionated into four fractions coded as 802‐F1 (four arms), 802‐F2 (two arms), 802‐F3 (one arm), and 802‐F4 by repeating fractional precipitation. Their weight‐average molecular weight ( M w ) was measured by size‐exclus…

Block Copolymer Self-AssemblyPolymer crystallization and propertiesPolymer Nanocomposites and Properties

Atomic and electronic structure of theK∕Si(111)3×3R30°−Bchemisorption system

Hongqing Shi、Marian W. Radny、P.V. Smith2004-12-20Physical Review B

Ab initio plane-wave pseudopotential density functional theory (DFT) calculations have been carried out to determine the atomic and electronic structure of the $\mathrm{K}∕\mathrm{Si}(111)\sqrt{3}\ifmmode\times\else\texttimes\fi{}\sqrt{3}R{30}^{\mathrm{\ifmmode^\circ\else\textdegree\fi{}}}\text{\ensuremath{-}}B$ adsor…

MXene and MAX Phase MaterialsSuperconductivity in MgB2 and AlloysBoron and Carbon Nanomaterials Research

Synthesis and characterization of novel photosensitive polyimide based on 5‐(2,5‐dioxotetrahydrofuryl)‐3‐methyl‐3‐cyclohexene‐1,2‐dicarboxylic anhydride

Eun Young Chung、Sung Mook Choi、Hyun Bo Sim 等 7 位作者2004-12-20Polymers for Advanced Technologies

Abstract A negative type photosensitive polyimide with alicyclic moiety (NPI) was synthesized from 5‐(2,5‐dioxotetrahydrofuryl)‐3‐methyl‐3‐cyclohexene‐1,2‐dicarboxylic anhydride and 4,4‐diaminobenzophenone by one‐step polymerization in m ‐cresol. Properties of the polyimides were characterized and a photo‐crosslinking…

Silicone and Siloxane ChemistryPhotopolymerization techniques and applicationsSynthesis and properties of polymers

Cd1–xMnxS Diluted Magnetic Semiconductors as Nanostructured Guest Species in Mesoporous Thin‐Film Silica Host Media

A. V. Kouzema、Michael Fröba、Limei Chen 等 5 位作者2004-12-20Advanced Functional Materials

Abstract Recently, we demonstrated the possibility of synthesizing ordered nanowires of diluted magnetic II/VI semiconductors inside the channels of mesoporous silica host structures. Here, we expand this procedure from mesoporous powders to mesoporous thin films. Diluted magnetic semiconductors Cd 1– x Mn x S were sy…

Copper-based nanomaterials and applicationsQuantum Dots Synthesis And PropertiesMesoporous Materials and Catalysis

Cerium Phosphate Nanotubes: Synthesis, Valence State, and Optical Properties

Chengchun Tang、Yoshio Bando、Dmitri Golberg 等 4 位作者2004-12-20Angewandte Chemie

Eine starke blaue Emission zeichnet hybride Cer(III)/Cer(IV)-phosphat-Nanoröhren aus, wohingegen Cer(III)-phosphat-Nanodrähte eine charakteristische zweigipflige UV-Lumineszenz zeigen (siehe Diagramm). Die Cerphosphatsysteme wurden durch Erhitzen neuartiger Cer(IV)-phosphat-Nanoröhren auf unterschiedliche Temperaturen…

Luminescence Properties of Advanced MaterialsMXene and MAX Phase MaterialsMetal-Organic Frameworks: Synthesis and Applications

SOME PHYSICOCHEMICAL PROPERTIES OF PERLITE AS AN ADSORBENT

Mehmet Doğan、Mahir Alkan2004-12-20Fresenius environmental bulletin

SUMMARY Perlite is a glassy volcanic rock, which will, upon rapid controlled heating, expand into a frothy material of bulk density. Considering the fact that the uses of perlite are based primarily upon its physical and chemical properties, it is aimed to investigate some physical and chemical properties of unexpande…

Thermal and Kinetic AnalysisAnalytical Chemistry and SensorsClay minerals and soil interactions