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First-principles study of the pressure effects onβ′−(BEDT−TTF)2AuCl2

Tsuyoshi Miyazaki、Hiori Kino2006-01-09Physical Review B

We show a unique pressure effect on the electronic structure of a layered organic solid ${\ensuremath{\beta}}^{\ensuremath{'}}\text{\ensuremath{-}}{(\mathrm{BEDT}\text{\ensuremath{-}}\mathrm{TTF})}_{2}\mathrm{Au}{\mathrm{Cl}}_{2}$ by a theoretical study based on density functional theory. At ambient pressure, atomic a…

Magnetism in coordination complexesOrganic and Molecular Conductors ResearchN-Heterocyclic Carbenes in Organic and Inorganic Chemistry

Lattice dynamics of single-walled achiralBC3nanotubes

Zheng Guo、Yang Xiao、Jianwen Ding 等 4 位作者2006-01-09Physical Review B

The phonon dispersion relation and specific heat of single-walled ${\mathrm{BC}}_{3}$ nanotubes have been investigated using a force constant model. The obtained phonon dispersion relation of ${\mathrm{BC}}_{3}$ sheet reproduces well the experimental data. The tube-diameter dependent frequencies of both the radial bre…

Carbon Nanotubes in CompositesThermal properties of materialsBoron and Carbon Nanomaterials Research

Fermi surface of the organic superconductor(MDT−ST)(I3)0.417reconstructed by incommensurate potential

Tadashi Kawamoto、Takehiko Mori、Kengo Enomoto 等 9 位作者2006-01-09Physical Review B

The effect of incommensurate potential on Fermi surface (FS), which loses any translational symmetry in the energy bands, is investigated in the organic superconductor $(\mathrm{MDT}\text{\ensuremath{-}}\mathrm{ST}){({\mathrm{I}}_{3})}_{0.417}$, where MDT-ST is $5H$-2-(1,3-dithiol-2-ylidene)-1,3-diselena-4,6-dithiapen…

Perovskite Materials and ApplicationsOrganic and Molecular Conductors ResearchSolid-state spectroscopy and crystallography

Poly(D, L‐lactide‐co‐glycolide)/poly(ethylenimine) blend matrix system for pH sensitive drug delivery

Damon Sutton、Rémy Durand、Xintao Shuai 等 4 位作者2006-01-09Journal of Applied Polymer Science

Abstract Poly( D , L ‐lactide‐ co ‐glycolide) (PLGA) and poly(ethylenimine) (PEI) were blended and found to form a homogeneous pH sensitive matrix for drug release. Differential scanning calorimetry (DSC) studies of the PLGA/PEI blends showed a single glass transition temperature at all compositions. Fourier transform…

Advanced Drug Delivery SystemsSynthesis and properties of polymersPolymer Nanocomposite Synthesis and Irradiation

Independence of the brittle–ductile transition from the rubber particle size for impact‐modified poly(vinyl chloride)

Chengzhe Zhao、Guangfeng Wu、Chao Zhou 等 5 位作者2006-01-09Journal of Polymer Science Part B Polymer Physics

Abstract A series of acrylic impact modifiers (AIMs) with different particle sizes ranging from 55.2 to 927.0 nm were synthesized by seeded emulsion polymerization, and the effect of the particle size on the brittle–ductile transition of impact‐modified poly(vinyl chloride) (PVC) was investigated. For each AIM, a seri…

Polymer crystallization and propertiesPolymer Nanocomposites and PropertiesNatural Fiber Reinforced Composites

Electronic band structure, electron-phonon interaction, and superconductivity of (5,5), (10,10), and (5,0) carbon nanotubes

K. Iyakutti、Arun Bodapati、Xihong Peng 等 5 位作者2006-01-09Physical Review B

The electronic band structure, electron-phonon interaction, and superconducting transition are investigated for the (5,5), (10,10) armchair and (5,0) zigzag single walled carbon nanotubes (SWCNT). While the electron-phonon interaction and superconducting transition temperature are very small in (5,5) and negligibly sm…

Carbon Nanotubes in CompositesGraphene research and applicationsFullerene Chemistry and Applications

Gated spin transport through an individual single wall carbon nanotube

Bhaskar Nagabhirava、Tanesh Bansal、Gamini Sumanasekera 等 5 位作者2006-01-09Applied Physics Letters

Hysteretic switching in the magnetoresistance of short-channel, ferromagnetically contacted individual single wall carbon nanotubes is observed, providing strong evidence for nanotube spin transport. By varying the voltage on a capacitively coupled gate, the magnetoresistance can be reproducibly modified between +10%…

Carbon Nanotubes in CompositesGraphene research and applicationsQuantum and electron transport phenomena

Growth and characterization of well aligned densely packed IrO2nanocrystals on sapphire via reactive sputtering

Alexandru Korotcov、Ying‐Sheng Huang、Dah‐Shyang Tsai 等 4 位作者2006-01-09Journal of Physics Condensed Matter

Well aligned densely packed IrO2 nanocrystals (NCs) have been grown on sapphire (SA) substrates with different orientations by reactive magnetron sputtering using an Ir metal target. The surface morphology, structural and spectroscopic properties of the as-deposited NCs were characterized using field-emission scanning…

ZnO doping and propertiesSemiconductor materials and devicesElectronic and Structural Properties of Oxides

Coexistence of meandering and bunching of steps on vicinal surfaces

Yanmei Yu、Bang‐Gui Liu2006-01-09Physical Review B

We simulate morphology and its evolution of vicinal surfaces in epitaxy by using the phase-field model. For usual parameters of Cu vicinal surfaces, a pure in-phase meandering pattern consistent to the experimental images is obtained. Nevertheless, vicinal surfaces grow into more complex hierarchy for a small kink ene…

Theoretical and Computational PhysicsSolidification and crystal growth phenomenaFluid Dynamics and Thin Films

Holographically generated twisted nematic liquid crystal gratings

Hyunhee Choi、J. W. Wu、Hye Jeong Chang 等 4 位作者2006-01-09Applied Physics Letters

A reflection holographic method is introduced to fabricate an electro-optically tunable twisted nematic (TN) liquid crystal (LC) grating, forgoing the geometrical drawing. The photoisomerization process occurring on the LC alignment layers of an LC cell in the reflection holographic configuration gives a control over…

Photonic and Optical DevicesLiquid Crystal Research AdvancementsAdvanced Optical Imaging Technologies

Synthesis and Characterization of Carbon‐Based Nanoparticles and Highly Magnetic Nanoparticles with Carbon Coatings

Reinhard Nesper、Anton Ivantchenko、Frank Krumeich2006-01-09Advanced Functional Materials

Abstract The metal carbides Li 2 C 2 , NaHC 2 , and CaC 2 , as well as acetylene, have been decomposed thermally and by metathesis reactions with selected transition‐metal halogenides as catalyst precursors in the temperature range of 550–1000 °C. All reactions have been performed in selected salt fluxes which dissolv…

Graphene research and applicationsDiamond and Carbon-based Materials ResearchBoron and Carbon Nanomaterials Research

Transition from crazing to shear deformation in ABS/PVC blends

Chao Zhou、Xuanxuan Bao、Zhujiang Tan 等 7 位作者2006-01-09Journal of Polymer Science Part B Polymer Physics

Abstract ABS/PVC blends were prepared over a range of compositions by mixing PVC, SAN, and PB‐ g ‐SAN. All samples were designed to have a constant rubber level of 12 wt % and the ratio of total‐SAN to PVC in the matrix of the blends varied from 70.5/17.5 to 18/80. Transmission electron microscope and scanning electro…

Polymer crystallization and propertiesPolymer Nanocomposites and PropertiesRheology and Fluid Dynamics Studies

Manganese(II), iron(II), cobalt(II), and copper(II) complexes of an extended inherently chiral tris-bipyridyl cage

D.F. Perkins、Leonard F. Lindoy、A. McAuley 等 5 位作者2006-01-09Proceedings of the National Academy of Sciences

Manganese(II), iron(II), cobalt(II), and copper(II) derivatives of two inherently chiral, Tris(bipyridyl) cages (L and L') of type [ML]-(PF(6))(2)(solvent)(n) and [FeL'](ClO(4))(2) are reported, where L is the hexa-tertiary butyl-substituted derivative of L'. These products were obtained by using the free cage and met…

Metal complexes synthesis and propertiesMagnetism in coordination complexesLanthanide and Transition Metal Complexes

Spiropyrans: Synthesis, Properties, and Application

B. S. Lukyanov、M. B. Lukyanova2006-01-09ChemInform

Abstract For Abstract see ChemInform Abstract in Full Text.

Porphyrin and Phthalocyanine ChemistryPhotochromic and Fluorescence ChemistryPhotoreceptor and optogenetics research

Suspended architecture formation process of single-walled carbon nanotubes

Yoshikazu Homma、Daisuke Takagi、Yoshihiro Kobayashi2006-01-09Applied Physics Letters

The formation processes of suspended structures and bundles of single-walled carbon nanotubes (SWNTs) are directly observed by in situ scanning electron microscopy during chemical vapor deposition of SWNTs on a patterned specimen. SWNTs exhibit lively movements during extension from micropillar patterns, resulting in…

Carbon Nanotubes in CompositesForce Microscopy Techniques and ApplicationsMechanical and Optical Resonators

Electronic structure and vibrational spectra ofC2B10-based clusters and films

Kyungwha Park、Mark R. Pederson、L. L. Boyer 等 15 位作者2006-01-09Physical Review B

The electronic structure, total energy, and vibrational properties of ${\mathrm{C}}_{2}{\mathrm{B}}_{10}{\mathrm{H}}_{12}$ (carborane) molecules and ${\mathrm{C}}_{2}{\mathrm{B}}_{10}$ clusters formed when the hydrogen atoms are removed from carborane molecules are studied using density functional methods and a semiem…

Diamond and Carbon-based Materials ResearchBoron and Carbon Nanomaterials ResearchBoron Compounds in Chemistry

Tight-binding modeling of thermoelectric properties of bismuth telluride

Seungwon Lee、Paul von Allmen2006-01-09Applied Physics Letters

A parameterized orthogonal tight-binding model with sp3d5s* orbitals, nearest-neighbor interactions, and spin-orbit coupling is developed for bismuth telluride (Bi2Te3) and used to study its thermoelectric properties. Thermoelectric transport coefficients and figures of merit for n-doped and p-doped Bi2Te3 are calcula…

Advanced Thermoelectric Materials and DevicesThermal properties of materialsAdvanced Thermodynamics and Statistical Mechanics

Electronic structure of transition-metal impurities inp-type ZnO

L. Petit、T. C. Schulthess、A. Svane 等 6 位作者2006-01-09Physical Review B

The self-interaction-corrected local spin-density approximation is used to investigate the ground-state valency configuration of transition metal $(\mathrm{TM}=\mathrm{Mn},\mathrm{Co})$ impurities in $p$-type ZnO. Based on total energy considerations, we find a stable localized ${\mathrm{TM}}^{2+}$ configuration for a…

ZnO doping and propertiesMagnetic and transport properties of perovskites and related materialsAdvanced Condensed Matter Physics