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Local-spin-density functional for multideterminant density functional theory

Simone Paziani、Saverio Moroni、Paola Gori-Giorgi 等 4 位作者2006-03-07arXiv

Based on exact limits and quantum Monte Carlo simulations, we obtain, at any density and spin polarization, an accurate estimate for the energy of a modified homogeneous electron gas where electrons repel each other only with a long-range coulombic tail. This allows us to construct an analytic local-spin-density excha…

Materials ScienceChemical Physics

Concept of deterministic single ion doping with sub-nm spatial resolution

J. Meijer、T. Vogel、B. Burchard 等 12 位作者2006-03-07arXiv

We propose a method for deterministic implantation of single atoms into solids which relies on a linear ion trap as an ion source. Our approach allows a deterministic control of the number of implanted atoms and a spatial resolution of less than 1 nm. Furthermore, the method is expected to work for almost all hemical…

Materials Science

Collinear to Spiral Spin Transformation without Changing the Modulation Wavelength upon Ferroelectric Transition inTb1−xDyxMnO3

T. Arima、A. T. Tokunaga、T. Goto 等 6 位作者2006-03-07Physical Review Letters

Lattice modulation and magnetic structures in magnetoelectric compounds Tb1-xDyxMnO3 have been studied around the ferroelectric (FE) Curie temperature TC by x-ray and neutron diffraction. Temperature-independent modulation vectors through TC are observed for the compounds with 0.50 <or=x<or=0.68. This indicates that f…

Ferroelectric and Piezoelectric MaterialsMagnetic and transport properties of perovskites and related materialsMultiferroics and related materials

Ferroelectricity Induced by Acentric Spin-Density Waves inYMn2O5

L. C. Chapon、P. G. Radaelli、Graeme R. Blake 等 5 位作者2006-03-07Physical Review Letters

The commensurate and incommensurate magnetic structures of the magnetoelectric system YMn2O5, as determined from neutron diffraction, were found to be spin-density waves lacking a global center of symmetry. We propose a model, based on a simple magnetoelastic coupling to the lattice, which enables us to predict the po…

Ferroelectric and Piezoelectric MaterialsMagnetic and transport properties of perovskites and related materialsMultiferroics and related materials

From Triazines to Heptazines: Novel Nonmetal Tricyanomelaminates as Precursors for Graphitic Carbon Nitride Materials

Bettina V. Lotsch、Wolfgang Schnick2006-03-07Chemistry of Materials

The first non-metal tricyanomelaminates have been synthesized via metathesis reactions and characterized by means of single-crystal X-ray diffraction and vibrational and solid-state NMR spectroscopy. The crystal structures of [NH 4 ] 2 [C 6 N 9 H] ( 1 ) ( P 2 1 / c, a = 1060.8(2) pm, b = 1146.2(2) pm, c = 913.32(18) p…

Metal-Organic Frameworks: Synthesis and ApplicationsMagnetism in coordination complexesInorganic Chemistry and Materials

Colloidal CdSe Quantum Wires by Oriented Attachment

Narayan Pradhan、Huifang Xu、Xiaogang Peng2006-03-07OpenAlex

We report here a relatively low temperature (100-180 degrees C) synthetic route to high-quality and single-crystalline CdSe nanowires using air-stable and generic chemicals. The diameter of nanowires was controlled and varied in an exceptionally small size regime, between 1.5 and 6 nm. This was achieved by using alkyl…

Quantum Dots Synthesis And PropertiesChalcogenide Semiconductor Thin FilmsMolecular Junctions and Nanostructures

Toxicology of Nanomaterials

Nancy A. Monteiro‐Riviere、Jessica P. Ryman-Rasmussen2006-03-06OpenAlex

Traditional toxicological testing of additives in food has relied on dose exaggeration (relative to anticipated human exposure) via relevant routes of exposure to provide a qualitative characterization of the nature of adverse events that could arise as the result of exposure to chemical substances. This was often fol…

Nanoparticles: synthesis and applicationsGold and Silver Nanoparticles Synthesis and ApplicationsGraphene and Nanomaterials Applications

On the Thermal Decomposition of Dipyridamole: Thermogravimetric, Differential Scanning Calorimetric and Spectroscopic Studies

Marilene Silva Oliveira、Sylvana Cardoso Miguel Agustinho、Ana Maria de Guzzi Plepis 等 4 位作者2006-03-06Spectroscopy Letters

Thermal decomposition of dipyridamole was followed by analysis of the residue by spectroscopic methods. The loss of mass observed in thermogravimetric (TG) experiments in N2 atmosphere occurs in essentially three steps. The first step, corresponding to 35% of mass loss, was monitored in an isothermal process, and the…

Thermal and Kinetic AnalysisChemical Thermodynamics and Molecular Structurethermodynamics and calorimetric analyses

Lasing in an intermediate twisted phase between cholesteric and smectic A phase

Andro Chanishvili、G. S. Chilaya、Gia Petriashvili 等 7 位作者2006-03-06Applied Physics Letters

This work describes the observation of lasing in an intermediate chiral phase of a dye-doped cholesteric liquid crystal mixture. This intermediate phase exists between cholesteric and smectic A phase and it presents anomalous selective reflection properties. The lasing was observed at the long-wavelength edge of the p…

Photonic and Optical DevicesLiquid Crystal Research AdvancementsPhotonic Crystals and Applications

Giant enhancement of luminescence induced by second-harmonic surface plasmon resonance

H. Y. Lin、Y. F. Chen2006-03-06Applied Physics Letters

Strong ultraviolet luminescence having intensity comparable with device-quality GaN epifilms has been observed in Au nanoparticles. It is identified that the luminescence involves radiative recombination of electrons in band 6 (sp conduction band) with holes in band 4 (secondary top d band), near the L symmetry point.…

Gold and Silver Nanoparticles Synthesis and ApplicationsPlasmonic and Surface Plasmon ResearchNonlinear Optical Materials Studies

Fabrication of n-type carbon nanotube field-effect transistors by Al doping

Hwangyou Oh、Jinhee Kim、Woon Song 等 7 位作者2006-03-06Applied Physics Letters

We report the effect of an Al layer, covering the central part of the nanotube channel, on the electrical transport properties of carbon nanotube field-effect transistors (CNFETs). The CNFETs, consisting of single-walled carbon nanotube or double-walled carbon nanotube between two Pd electrodes on top of SiO2 layer, w…

Carbon Nanotubes in CompositesGraphene research and applicationsDiamond and Carbon-based Materials Research

Light emission from Si nanoclusters formed at low temperatures

Xiaodong Pi、O. H. Y. Zalloum、Tyler Roschuk 等 7 位作者2006-03-06Applied Physics Letters

Photoluminescence (PL) from amorphous Si nanoclusters (Si-ncls) formed by thin-film deposition via electron-cyclotron resonance plasma-enhanced chemical vapor deposition followed by annealing at temperatures ⩽875°C has been investigated. We find that Si-ncls grow very slowly after their initial nucleation at low tempe…

Thin-Film Transistor TechnologiesSilicon Nanostructures and PhotoluminescenceIon-surface interactions and analysis

Simultaneous Preparation of PI/POSS Semi‐IPN Nanocomposites

Wenyi Chen、Ko Shan Ho、Tar‐Hwa Hsieh 等 5 位作者2006-03-06Macromolecular Rapid Communications

Abstract Summary: This investigation presents a simultaneous and convenient approach to produce a high‐performance polyimide with a low dielectric constant by introducing the octa‐acrylated polyhedral oligomeric silsesquioxane (methacrylated‐POSS) into a polyimide matrix to form polyimide semi‐interpenetrating polymer…

Synthesis and characterization of novel inorganic/organometallic compoundsSynthesis and properties of polymersSilicone and Siloxane Chemistry

Polarization fatigue and frequency-dependent recovery in Pb(Zr,Ti)O3 epitaxial thin films with SrRuO3 electrodes

L. Pintilie、I. Vrejoiu、D. Hesse 等 4 位作者2006-03-06Applied Physics Letters

Fatigue is investigated in epitaxial Pb(Zr,Ti)O3 films grown on SrRuO3∕SrTiO3 substrates with Pt or SrRuO3 (SRO) top electrodes. It was experimentally determined that fatigue occurs irrespective of whether the top electrode is Pt or SRO. The fatigue behavior is strongly dependent on the frequency. A polarization recov…

Ferroelectric and Piezoelectric MaterialsMultiferroics and related materialsMicrowave Dielectric Ceramics Synthesis

Band-edge electroluminescence from N+-implanted bulk ZnO

Hung-Ta Wang、B. S. Kang、Jau-Jiun Chen 等 10 位作者2006-03-06Applied Physics Letters

N + ion implantation at moderate doses (1013–1014cm−2) into nominally undoped (n∼1017cm−3) bulk single-crystal ZnO substrates followed by annealing in the range 600–950°C was used to fabricate diodes that show visible luminescence at 300K and band-edge electroluminescence at 120K (∼390nm) under forward bias conditions…

ZnO doping and propertiesGas Sensing Nanomaterials and SensorsGa2O3 and related materials

Preferential Partition of Nanowires in Thin Films of Immiscible Polymer Blends

Kuen‐Hua Wu、Shih‐Yuan Lu2006-03-06Macromolecular Rapid Communications

Abstract Summary: The preferential partition of silver nanowires in thin films of polystyrene/poly(vinyl pyrrolidone) (PS/PVP, with a 30/70 weight ratio) blends, that induces drastic blend morphology variation, is reported. The silver nanowires are fabricated with the anodic aluminum oxide templating method, and have…

Polymer Surface Interaction StudiesBlock Copolymer Self-AssemblyNanofabrication and Lithography Techniques

A Theory of Argument

Mark Vorobej2006-03-06Cambridge University Press eBooks

A Theory of Argument is an advanced 2006 textbook intended for students in philosophy, communications studies and linguistics who have completed at least one course in argumentation theory, information logic, critical thinking or formal logic. Containing nearly 400 exercises, Mark Vorobej develops a novel approach to…

Material Selection and Properties

Straining of monocrystalline silicon thin films with the use of porous silicon as stress generating nanomaterial

Olivier Marty、T. Nychyporuk、J. de la Torre 等 6 位作者2006-03-06Applied Physics Letters

A simple and low cost technological approach for the straining of thin crystalline silicon (Si) films using porous silicon (PS) as stress generating nanomaterial is reported. Structural analysis of the PS∕Si structures is performed by transmission electron microscopy. Raman scattering spectroscopy is used for the eval…

Thin-Film Transistor TechnologiesSilicon Nanostructures and PhotoluminescenceNanowire Synthesis and Applications

Photo-tuning of lasing from a dye-doped cholesteric liquid crystals by photoisomerization of a sugar derivative having plural azobenzene groups

Seiji Kurihara、Yohko Hatae、Teppei Yoshioka 等 6 位作者2006-03-06Applied Physics Letters

Cholesteric liquid crystal (Ch LC) was prepared by mixing a nematic LC, a sugar derivative having plural azobenzene substituents, and a laser dye. Laser emission from the dye-doped Ch LC was observed at the longer edge of the selective reflection band of the Ch LC. Reversible change in the helical pitch of the Ch LC w…

Liquid Crystal Research AdvancementsPhotonic Crystals and ApplicationsPhotochemistry and Electron Transfer Studies

Thermodynamic and electrostatic analysis of threading dislocations in epitaxial ferroelectric films

I. B. Misirlioglu、S. P. Alpay、Mark Aindow 等 4 位作者2006-03-06Applied Physics Letters

The role of threading dislocations on the electrical properties of epitaxial ferroelectric films is analyzed using a thermodynamic formalism and basic electrostatics. The modeling is carried out for a 300nm thick (001) PbZr0.2Ti0.8O3 on (001) SrTiO3 which displays a large population of threading dislocations as determ…

Ferroelectric and Piezoelectric MaterialsUltrasonics and Acoustic Wave PropagationAcoustic Wave Resonator Technologies