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Density functional theory study of water adsorption at reduced and stoichiometric ceria (111) surfaces

Santosh Kumar、Patrick K. Schelling2006-11-27The Journal of Chemical Physics

We study the structure and energetics of water molecules adsorbed at ceria (111) surfaces for 0.5 and 1.0 ML coverages using density functional theory. The results of this study provide a theoretical framework for interpreting recent experimental results on the redox properties of water at ceria (111) surfaces. In par…

Catalytic Processes in Materials ScienceCatalysis and Oxidation ReactionsElectronic and Structural Properties of Oxides

Observation of Fano asymmetry in Raman spectra of SrTiO3 and CaxSr1−xTiO3 perovskite nanocubes

Sarbajit Banerjee、Dae-In Kim、Richard D. Robinson 等 6 位作者2006-11-27Applied Physics Letters

Bulk SrTiO3 is cubic and not expected to exhibit any first-order Raman scattering. However, nanocubes of SrTiO3 with an edge length of 80±10nm show strong first-order Raman scattering originating from the breaking of symmetry caused by frozen surface dipoles (local tetragonality) and the presence of nanoscopic polar d…

Ferroelectric and Piezoelectric MaterialsHigh-pressure geophysics and materialsElectronic and Structural Properties of Oxides

White-light-emitting phosphor: CaMgSi2O6:Eu2+, Mn2+ and its related properties with blending

Sung Hun Lee、Je Hong Park、Se Mo Son 等 5 位作者2006-11-27Applied Physics Letters

The CaMgSi2O6:Eu2+, Mn2+ phosphors show three emission bands peaking at around 450nm (blue), 580nm (yellow), and 680nm (red). The blue band originates from the allowed f-d transition of Eu2+ ions on Ca sites. The yellow and red bands originate from the forbidden T14-A16 transition of Mn2+ ions on Mg2+ and Ca2+ sites,…

Luminescence Properties of Advanced MaterialsRadiation Detection and Scintillator Technologiesbioluminescence and chemiluminescence research

Analytical approach to optical absorption in carbon nanotubes

Ermin Malić、Matthias Hirtschulz、Frank Milde 等 5 位作者2006-11-27Physical Review B

We derive an analytic expression for the optical matrix elements of carbon nanotubes and calculate their optical absorption spectra within the tight-binding approximation. For zigzag nanotubes we present an analytical result for the absorption coefficient. Metallic nanotubes have an optical band gap regardless of thei…

Carbon Nanotubes in CompositesFullerene Chemistry and ApplicationsMechanical and Optical Resonators

Thermosensitive core-shell particles as model systems for studying the flow behavior of concentrated colloidal dispersions

Jérôme J. Crassous、Miriam Siebenbürger、Matthias Ballauff 等 6 位作者2006-11-27The Journal of Chemical Physics

We report on a comprehensive investigation of the flow behavior of colloidal thermosensitive core-shell particles at high densities. The particles consist of a solid core of poly(styrene) onto which a network of cross-linked poly(N-isopropylacrylamide) is affixed. Immersed in water the shell of these particles will sw…

Material Dynamics and PropertiesRheology and Fluid Dynamics StudiesPickering emulsions and particle stabilization

Synthesis and characterization of cage octa(aminopropylsilsesquioxane)

Zengping Zhang、Guozheng Liang、Tingli Lu2006-11-27Journal of Applied Polymer Science

Abstract The compound of cage octa(aminopropylsilsesquioxane) (POSS‐NH 2 ) was prepared in higher yield by the hydrolysis and polycondensation of trifunctional monomer H 2 NCH 2 CH 2 CH 2 Si(OC 2 H 5 ) 3 in the mixture of solvents acetonitrile and 1‐propanol, with tetraethyl ammonium hydroxide (Et 4 NOH) as the cataly…

Advanced ceramic materials synthesisSynthesis and properties of polymersSilicone and Siloxane Chemistry

Size-dependent phase transition memory switching behavior and low writing currents in GeTe nanowires

Seho Lee、Dong‐Kyun Ko、Yeonwoong Jung 等 4 位作者2006-11-27Applied Physics Letters

Synthesis and device characteristics of highly scalable GeTe nanowire-based phase transition memory are reported. The authors have demonstrated reversible phase transition memory switching behavior in GeTe nanowires, and obtained critical device parameters, such as write and erase currents, threshold voltage, and prog…

Advanced Memory and Neural ComputingTransition Metal Oxide NanomaterialsPhase-change materials and chalcogenides

GaN and InN nanowires grown by MBE: a comparison

Raffaella Calarco、Michel Marso2006-11-27arXiv

Morphological, optical and transport properties of GaN and InN nanowires grown by molecular beam epitaxy (MBE) have been studied. The differences between the two materials in respect to growth parameters and optimization procedure was stressed. The nanowires crystalline quality has been investigated by means of their…

Materials Science

Microscopic Calculation of Spin Torques and Forces

H. Kohno、G. Tatara、J. Shibata 等 4 位作者2006-11-27arXiv

Spin torques, that is, effects of conduction electrons on magnetization dynamics, are calculated microscopically in the first order in spatial gradient and time derivative of magnetization. Special attention is paid to the so-called β-term and the Gilbert damping, α, in the presence of electrons' spin-relaxation proce…

Mesoscale and Nanoscale PhysicsMaterials Science

Successive Magnetic Transitions of the Kagome Staircase Compound Co3V2O8 Studied in Various Magnetic Fields

Yukio Yasui、Yusuke Kobayashi、Minoru Soda 等 7 位作者2006-11-27arXiv

For the spin-3/2 kagome staircase system Co3V2O8, magnetic field (H)-temperature (T) phase diagrams have been constructed for the fields along three principal directions up to 5 T, using results of various macroscopic measurements on single crystal samples and also using neutron diffraction data taken on both powder a…

Materials ScienceStrongly Correlated Electrons

Capillary origami: spontaneous wrapping of a droplet with an elastic sheet

C. Py、P. Reverdy、L. Doppler 等 6 位作者2006-11-27arXiv

The interaction between elasticity and capillarity is used to produce three dimensional structures, through the wrapping of a liquid droplet by a planar sheet. The final encapsulated 3D shape is controlled by tayloring the initial geometry of the flat membrane. A 2D model shows the evolution of open sheets to closed s…

Materials ScienceSoft Condensed Matter

Magnetic phase diagram of the semi-Heusler alloys from first principles

E. Şaşıoğlu、L. M. Sandratskii、P. Bruno2006-11-27Applied Physics Letters

The magnetic phase diagram of the Mn-based semi-Heusler alloys is determined at T=0 using first-principles calculations in conjunction with the frozen-magnon approximation. The authors show that the magnetism in these systems strongly depends on the number of conduction electrons, their spin polarization, and the posi…

Magnetic and transport properties of perovskites and related materialsShape Memory Alloy TransformationsHeusler alloys: electronic and magnetic properties

The glauconite–Fe‐illite–Fe‐smectite problem: a critical review

Alain Meunier、Abderrazak El Albani2006-11-27Terra Nova

Abstract Iron silicate minerals are a significant component of sedimentary systems but their modes of formation remain controversial. Our analysis of published data identifies end‐member compositions and mixtures and allows us to recognize controls of formation of different mineral species. The compositional fields of…

Paleontology and Stratigraphy of FossilsGeochemistry and Elemental AnalysisClay minerals and soil interactions

Amorphization Induced by Pressure: Results for Zeolites and General Implications

I. Peral、Jorge Íñiguez2006-11-27Physical Review Letters

We report an ab initio study of pressure-induced amorphization (PIA) in zeolites, which are model systems for this phenomenon. We confirm the occurrence of recently reported low-density amorphous phases that preserve the crystalline topology, and explain the role of the zeolite composition regarding PIA. Our results s…

Zeolite Catalysis and SynthesisGlass properties and applicationsPhase-change materials and chalcogenides

Analysis of resonant inelastic x-ray scattering at the $K$ edge in NiO

Manabu Takahashi、Jun-ichi Igarashi、Takuji Nomura2006-11-27arXiv

We analyze the resonant inelastic x-ray scattering (RIXS) spectra at the Ni $K$ edge in an antiferromagnetic insulator NiO by applying the theory developed by the present authors. It is based on the Keldysh Green's function formalism, and treats the core-hole potential in the intermediate state within the Born approxi…

Materials ScienceStrongly Correlated Electrons

Complete stabilization and improvement of the characteristics of tunnel junctions by thermal annealing

P. J. Koppinen、L. M. Väistö、I. J. Maasilta2006-11-27arXiv

We have observed that submicron sized Al--AlO{$_x$}--Al tunnel junctions can be stabilized completely by annealing them in vacuum at temperatures between $350^{\circ}$C and $450^{\circ}$C. In addition, low temperature characterization of the samples after the annealing treatment showed a marked improvement of the tunn…

Mesoscale and Nanoscale PhysicsMaterials Science

Assembly and characterization of colloid-based antireflective coatings on multicrystalline silicon solar cells

Brian G. Prevo、Emily W. Hon、Orlin D. Velev2006-11-27Journal of Materials Chemistry

Evaporation from a moving meniscus was used for controlled convective assembly of colloidal silica nanoparticles into antireflective coatings (ARCs) onto the rough uneven surfaces of polycrystalline silicon solar cells. The nanocoatings reduced the reflectance of the solar cells by approximately 10% across the near UV…

Surface Modification and SuperhydrophobicityPhotonic Crystals and ApplicationsOptical Coatings and Gratings

Synthesis and thermoelectric properties of KyCo4Sb12

Yanzhong Pei、Lidong Chen、W. Zhang 等 8 位作者2006-11-27Applied Physics Letters

Polycrystalline K-filled CoSb3 are synthesized successfully. The uplimit for K filling is at least 0.45, being higher than those of either alkaline-earth (AE) or rare-earth (RE) metals but being in consistent with our earlier theoretical prediction. The measured transport properties (300–800K) show that K filling does…

Advanced Thermoelectric Materials and DevicesRare-earth and actinide compoundsIntermetallics and Advanced Alloy Properties

Fast and highly anisotropic thermal transport through vertically aligned carbon nanotube arrays

Ilia N. Ivanov、Alexander A. Puretzky、Gyula Eres 等 9 位作者2006-11-27Applied Physics Letters

This letter reports on fast and highly anisotropic thermal transport through millimeter-tall, vertically aligned carbon nanotube arrays (VANTAs) synthesized by chemical vapor deposition on Si substrates. Thermal diffusivity measurements were performed for both longitudinal and transverse to the nanotube alignment dire…

Carbon Nanotubes in CompositesGraphene research and applicationsThermal properties of materials

Subtle competition between ferromagnetic and antiferromagnetic order in a Mn(II) - free radical ferrimagnetic chain

E. Lhotel、V. Simonet、E. Ressouche 等 9 位作者2006-11-27arXiv

The macroscopic magnetic characterization of the Mn(II) - nitronyl nitroxide free radical chain (Mn(hfac)2(R)-3MLNN) evidenced its transition from a 1-dimensional behavior of ferrimagnetic chains to a 3-dimensional ferromagnetic long range order below 3 K. Neutron diffraction experiments, performed on a single crystal…

Materials Sciencecond-mat.other