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Numerically improved computational scheme for the optical conductivity tensor in layered systems

A. Vernes、L. Szunyogh、P. Weinberger2000-12-11arXiv

The contour integration technique applied to calculate the optical conductivity tensor at finite temperatures in the case of layered systems within the framework of the spin-polarized relativistic screened Korringa-Kohn-Rostoker band structure method is improved from the computational point of view by applying the Gau…

Materials Science

Magnetic Stress as a Driving Force of Structural Distortions: The Case of CrN

Alessio Filippetti、Nicola A. Hill2000-12-11Physical Review Letters

We show that the observed transition from rock salt to orthorhombic P(nma) symmetry in CrN can be understood in terms of stress anisotropy. Using local spin density functional theory, we find that the imbalance between stress stored in spin-paired and spin-unpaired Cr nearest neighbors causes the rock-salt structure t…

High-pressure geophysics and materialsBoron and Carbon Nanomaterials ResearchInorganic Chemistry and Materials

Layer-resolved magneto-optical Kerr effect in semi-infinite inhomogeneous layered systems

A. Vernes、L. Szunyogh、P. Weinberger2000-12-11arXiv

The contour integration technique applied to calculate the optical conductivity tensor at finite temperatures in the case of inhomogeneous surface layered systems within the framework of the spin-polarized relativistic screened Korringa-Kohn-Rostoker band structure method is extended to arbitrary polarizations of the…

Materials Science

Realization of an ultra-high magnetic field on a nano-scale

S. T. Chui、J. -T. Wang、Li Zhou 等 5 位作者2000-12-11arXiv

In tunnel junctions of which at least one side is a ferromagnet, very large magnetic polarization change ($\approx 0.1 μ_B$) and splitting of the spin up and spin down Fermi energy ($\approx 0.1 eV$) can be created under steady state finite current conditions (bias voltage $\approx$ 1 volt). This is {\bf much higher}…

Materials Science

Intertube Coupling in Ropes of Single-Wall Carbon Nanotubes

H. Stahl、Joerg Appenzeller、Richard Martel 等 5 位作者2000-12-11Physical Review Letters

We investigate the coupling between individual tubes in a rope of single-wall carbon nanotubes using four probe resistance measurements. By introducing defects through the controlled sputtering of the rope we generate a strong nonmonotonic temperature dependence of the four terminal resistance. This behavior reflects…

Carbon Nanotubes in CompositesGraphene research and applicationsMechanical and Optical Resonators

Phase stability and structure of spinel-based transition aluminas

Chris Wolverton、K. C. Hass2000-12-11Physical review. B, Condensed matter

Using first-principles total energy calculations, we have investigated the structure and phase stability of spinel-based transition aluminas $(\ensuremath{\gamma},\ensuremath{\delta},\ensuremath{\eta}),$ both in the presence and absence of hydrogen. The spinel-based structures (formed from dehydration of aluminum hydr…

Advanced ceramic materials synthesisMicrowave Dielectric Ceramics SynthesisNuclear materials and radiation effects

Double Resonant Raman Scattering in Graphite

C. Thomsen、Stephanie Reich2000-12-11OpenAlex

We find that the electronic dispersion in graphite gives rise to double resonant Raman scattering for excitation energies up to 5 eV. As we show, the curious excitation-energy dependence of the graphite D mode is due to this double resonant process resolving a long-standing problem in the literature and invalidating r…

Graphene research and applicationsDiamond and Carbon-based Materials ResearchIon-surface interactions and analysis

Liquid-crystal blazed-grating beam deflector

Xu Wang、Daniel W. Wilson、Richard E. Muller 等 5 位作者2000-12-10Applied Optics

A transmission-type nonmechanical multiple-angle beam-steering device that uses liquid-crystal blazed grating has been developed. Sixteen steering angles with a contrast ratio of 18 has been demonstrated. A detailed analysis of the liquid-crystal and poly(methyl methacrylate) blazed-grating deflector was carried out t…

Photonic and Optical DevicesPhotonic Crystals and ApplicationsOptical Coatings and Gratings

Trimer-Monomer Mixture Problem on (111) $1 \times 1$ Surface of Diamond Structure

Noriko Akutsu、Yasuhiro Akutsu2000-12-10arXiv

We consider a system of trimers and monomers on the triangular lattice, which describes the adsorption problem on (111) $1 \times 1$ surface of diamond structure. We give a mapping to a 3-state vertex model on the square lattice. We treat the problem by the transfer-matrix method combined with the density-matrix algor…

Materials Sciencecond-mat.stat-mech

Vibrational Spectroscopy on pDTT3A Low Band Gap Polymer Based on Dithienothiophene

Antonio Cravino、Helmut Neugebauer、S. Luzzati 等 5 位作者2000-12-09The Journal of Physical Chemistry B

Attenuated total reflection Fourier transform infrared studies of the electrochemical redox processes of poly(dithieno[3,4-b:2‘,3‘-d]thiophene) (pDTT3), a low band gap conjugated polymer with a “polythiophene-like” backbone, where an aromatic moiety is fused to each thiophene ring, are reported. Vibrational spectrosco…

Organic Electronics and PhotovoltaicsPerovskite Materials and ApplicationsConducting polymers and applications

The Promoting Role of Noble Metals on NOx Storage Catalyst and Mechanistic Study of NOx Storage under Lean-Burn Conditions

Haomin Huang、R.Q. Long、Ralph T. Yang2000-12-09Energy & Fuels

The promoting roles of noble metals (Pt, Rh, and Pd) and NO x storage mechanism were investigated on alkaline earth metal oxide-based NO x storage catalysts under lean-burn conditions. It was found that noble metals increased the reaction rates of NO oxidation to NO 2 and nitrite oxidation to nitrate, resulting in an…

Catalytic Processes in Materials ScienceCatalysis and Oxidation ReactionsIndustrial Gas Emission Control

Intensities of the Vibrational Spectra of Siliceous Zeolites by Molecular Dynamics Calculations. I. Infrared Spectra

P. Bornhauser、Daniel Bougeard2000-12-09The Journal of Physical Chemistry B

Two models based on electrooptical parameters and one model using the fixed-charge approximation are tested for the calculation of the infrared intensities of the vibrational modes deduced from molecular dynamics calculations of four siliceous zeolites: sodalite, faujasite, zeolite A, and silicalite. The best results…

Zeolite Catalysis and SynthesisGlass properties and applicationsSpectroscopy and Quantum Chemical Studies

Synthesis of Porous Titania Microspheres for HPLC Packings by Polymerization-Induced Colloid Aggregation (PICA)

Zi‐Tao Jiang、Zuo Yu-min2000-12-09Analytical Chemistry

Porous titania microspheres with a very narrow particle size distribution (PSD) were synthesized by polymerization-induced colloid aggregation (PICA). After being sintered, the titania microspheres that are obtained have an average diameter of 3.5 microm, a surface area of 36.7 m2/g, an average pore volume of 0.30 mL/…

Microfluidic and Capillary Electrophoresis ApplicationsMesoporous Materials and CatalysisAnalytical Chemistry and Chromatography

Role of Substrate Metal in Gold Nanoparticle Enhanced Surface Plasmon Resonance Imaging

Eliza Hutter、Seungsang Cha、J-F. Liu 等 7 位作者2000-12-09The Journal of Physical Chemistry B

Using Au nanoparticles, it is possible under certain experimental conditions to considerably enhance the sensitivity of a conventional surface plasmon resonance (SPR) device. In this report, we examine the mechanism of this enhancement and discuss the experimental factors that are crucial to the performance of such a…

Gold and Silver Nanoparticles Synthesis and ApplicationsAdvanced biosensing and bioanalysis techniquesPlasmonic and Surface Plasmon Research

Magnetic Nanocomposite Particles and Hollow Spheres Constructed by a Sequential Layering Approach

Frank Caruso、M. Spasova、Andrei S. Susha 等 5 位作者2000-12-09OpenAlex

The fabrication of magnetic composite core−shell particles and hollow spheres with tailored dimensions and compositions has been accomplished by a multistep (layer-by-layer) strategy. Composite particles were prepared by coating submicrometer-sized anionic polystyrene (PS) latices with magnetite (Fe 3 O 4 ) nanopartic…

Photonic Crystals and ApplicationsSurfactants and Colloidal SystemsPolymer Surface Interaction Studies

Formation of High-Quality CdTe, CdSe, and CdS Nanocrystals Using CdO as Precursor

Zhe Peng、Xiaogang Peng2000-12-09OpenAlex

ADVERTISEMENT RETURN TO ISSUEPREVCommunicationNEXTFormation of High-Quality CdTe, CdSe, and CdS Nanocrystals Using CdO as PrecursorZ. Adam Peng and Xiaogang PengView Author Information Department of Chemistry and Biochemistry University of Arkansas, Fayetteville, Arkansas 72701 Cite this: J. Am. Chem. Soc. 2001, 123,…

Quantum Dots Synthesis And PropertiesChalcogenide Semiconductor Thin FilmsNanocluster Synthesis and Applications

The cation-vacancy ordering transition in dehydrated Na6 sodalite

Branton J. Campbell、José Miguel Delgado、Anthony K. Cheetham 等 8 位作者2000-12-08The Journal of Chemical Physics

Variable-temperature synchrotron x-ray powder diffraction data from dehydrated Na6[Al6Si6O24] reveal a structural phase transition that involves both the commensurate ordering of the extra-framework Na cations and a one-dimensional incommensurate modulation of the framework. Peak splittings and superlattice reflection…

Crystal Structures and PropertiesSolid-state spectroscopy and crystallographyX-ray Diffraction in Crystallography

Melt-Spun Hollow Fibers for Use in Nonwoven Structures

Anne De Rovère、Robert L. Shambaugh2000-12-08Industrial & Engineering Chemistry Research

Polypropylene hollow fibers were produced via the spunbonding process. Nitrogen gas was used as the lumen fluid. The polypropylene continuity equation can be combined with the nitrogen continuity equation to give excellent predictions of the inside diameter and the outside diameter of the product fiber. Tests were dev…

Mechanical Behavior of CompositesTextile materials and evaluationsMaterial Properties and Processing

Coexpression of α and β subunits of prolyl 4-hydroxylase stabilizes the triple helix of recombinant human type X collagen

Klaus Wagner、Ernst Pöschl、Javier Turnay 等 7 位作者2000-12-08Biochemical Journal

We have reported previously on the expression of recombinant human type X collagen (hrColX) in HEK 293 and HT 1080 cells by using the eukaryotic expression vector pCMVsis (in which CMV stands for cytomegalovirus). Several stably transfected clones secreted full-length triple-helical hrColX molecules in large amounts,…

Cell Adhesion Molecules ResearchCollagen: Extraction and CharacterizationBone and Dental Protein Studies

A dissipative particle dynamics method for modeling the geometrical packing of filler particles in polymer composites

James A. Elliott、A. H. Windle2000-12-08The Journal of Chemical Physics

A method is presented for modeling the geometrical packing of polydisperse mixtures of both spherical and nonspherical particles, which are models for filler particles used in the manufacture of polymer composites. The technique is based on the calculation of the dissipative dynamics of an ensemble of fused soft spher…

Polymer crystallization and propertiesMaterial Dynamics and PropertiesBlock Copolymer Self-Assembly