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Bis(tetrabutylammonium) nonadecaoxohexamolybdenum(VI): a second polymorph

Arnold L. Rheingold、Christian G. White、Brian S. Haggerty 等 4 位作者1993-04-15Acta Crystallographica Section C Crystal Structure Communications

[C 16 H 36 N] 2 °Mo 6 O 19 ] M r =1364.6, monoclinic, C2/c, a=16.280 (3), b=17.204 (3), c=17.738 (4) A, β=101.42 (2) o , V=4869.3 (17) A 3 , Z=4, D x =1.861 g cm -3 , λ(Mo Kα) = 0.71073 A, μ=15.66 cm -1 , F(000)=2728, T=298 K, R=0.0633 for 2857 observed reflections and 269 least-squares parameters. The six Mo atoms fo…

Organometallic Complex Synthesis and CatalysisMetal-Organic Frameworks: Synthesis and ApplicationsPolyoxometalates: Synthesis and Applications

Alkaline-earth beryllium borate CaBeB2O5

Kathleen I. Schaffers、Douglas A. Keszler1993-04-15Acta Crystallographica Section C Crystal Structure Communications

Beryllium calcium diborate, CaBeB 2 O 5 , M r =150.71, monoclinic, P2 1 /n, a=5.167 (2), b=3.756 (2), c=17.160 (2) A, β=98. 12 (2) o , V=329.7 (2) A 3 , Z=4, D x =3.036 g cm -3 , λ(Mo Kα)= 0.71069 A, μ=17.38 cm -1 , F(000)=296, T=298 K, R=0.039 for 508 reflections having F o 2 ≥3σ(F o 2 )

Crystal Structures and PropertiesSolid-state spectroscopy and crystallographyInorganic Chemistry and Materials

Semiconductor-Metal Transition Induced by the Structural Transition in Liquid Ge15Te85

Yoshimi Tsuchiya、Hiroyuki Saitoh1993-04-15Journal of the Physical Society of Japan

The electrical conductivity and thermoelectric power have been measured to investigate the semiconductor-metal transition in liquid Ge 15 Te 85 . It has been found that the activation energy of the electrical conductivity has a marked peak definitely below the temperature where the specific heat, compressibility and t…

Material Dynamics and PropertiesPhase-change materials and chalcogenidesChemical Thermodynamics and Molecular Structure

Band edge optical absorption in intrinsic silicon: Assessment of the indirect transition and disorder models

Richard Corkish、Martin A. Green1993-04-15Journal of Applied Physics

Two competing theories of the optical absorption edge of intrinsic crystalline silicon, the indirect transition theory, and the recent disorder (Urbach edge) theory, are assessed critically. The assessment of the indirect transition theory includes an attempt to predict, by the use of the luminescence spectrum and the…

Thin-Film Transistor TechnologiesSilicon and Solar Cell TechnologiesSilicon Nanostructures and Photoluminescence

Reverse-ballistic impact study of shear plug formation and displacement in Ti6Al4V alloy

W. H. Holt、W. Mock、William G. Soper 等 6 位作者1993-04-15Journal of Applied Physics

Gas-gun reverse-ballistic experiments have been performed in which Ti6Al4V alloy disks were impacted onto smaller diameter, hardened steel rods to push out shear plugs from the disk material. The range of disk velocities was 219–456 m/s. For each experiment, the disk, plug, and rod were soft recovered after impact. Be…

High-pressure geophysics and materialsHigh-Velocity Impact and Material BehaviorElectromagnetic Launch and Propulsion Technology

Switching response of a polymer dispersed liquid-crystal composite

Sukhmal C. Jain、Ravindra Singh Thakur、S.T. Lakshmikumar1993-04-15Journal of Applied Physics

Control over the switching times of polymer dispersed liquid crystal (PDLC) displays is an area of technological importance. We found that the switching times of a PDLC cell can be effectively controlled by using a dual frequency addressable liquid crystal mixture and driving it with appropriate electric fields. The d…

Photonic and Optical DevicesLiquid Crystal Research AdvancementsPhotonic Crystals and Applications

Electronic structures of BaB2O4 and LiB3O5

William Y. Hsu、R. V. Kasowski1993-04-15Journal of Applied Physics

The electronic bands of BaB2O4 (BBO) and LiB3O5 (LBO) have been computed from first principles using the ab initio pseudofunction method. Optical conductivities and densities of states in good agreement with optical measurements and x-ray photoemission are obtained. The gap in BBO results from the borate group to the…

High-pressure geophysics and materialsCrystal Structures and PropertiesAdvanced Condensed Matter Physics

Band gaps in some group-IV materials: A theoretical analysis

Jennifer L. Corkill、Marvin L. Cohen1993-04-15Physical review. B, Condensed matter

We have studied the effects of expansion of the lattice on band-edge levels in Si, Ge, Sn, and SiSn. The variation in the gap in the Si\ensuremath{\rightarrow}Ge\ensuremath{\rightarrow}Sn series can be explained as moving along a universal curve of the variation of band-edge levels with the combined effect of volume a…

Silicon Nanostructures and PhotoluminescenceNanowire Synthesis and ApplicationsSemiconductor materials and interfaces

Epitaxial growth of naphthalocyanine thin films vacuum deposited on alkali halides

Hisao Yanagi、Takashi Kouzeki、Michio Ashida1993-04-15Journal of Applied Physics

Epitaxial thin films of naphthalocyanines (Nc’s) were prepared on the (001) surface of alkali halide (AX) by a vacuum-deposition technique. Two types of molecular stacking and orientation were found depending on the molecular structure. Metal-free Nc(H2Nc) and divalent zinc Nc(ZnNc) took the face-to-face, eclipsed sta…

Organic Electronics and PhotovoltaicsPorphyrin and Phthalocyanine ChemistryMolecular Junctions and Nanostructures

Theoretical study of the structure and binding of iron clusters:Fen(n≤5)

Miguel Castro、Dennis R. Salahub1993-04-15Physical review. B, Condensed matter

The structural and electronic properties of iron clusters ${\mathrm{Fe}}_{\mathit{n}}$ (n\ensuremath{\le}5) are studied using a Gaussian orbital local (nonlocal) spin-density method. Starting from n=2 and 3 with localized multiple d bonds and short equilibrium bond lengths, ${\mathit{R}}_{\mathit{e}}$\ensuremath{\sime…

Advanced Chemical Physics StudiesMagnetic properties of thin filmsMagnetism in coordination complexes

Defects in porousp-type Si: An electron-paramagnetic-resonance study

H. J. von Bardeleben、D. Stiévenard、A. Grosman 等 5 位作者1993-04-15Physical review. B, Condensed matter

The defects in ${\mathit{p}}^{+}$ porous silicon of low and high porosity have been studied by using electron-paramagnetic-resonance (EPR) spectroscopy and compared with an impurity analysis obtained from nuclear reaction analysis (NRA). The EPR measurements show, in both high- and low-porosity samples, the same domin…

Semiconductor materials and devicesSilicon Nanostructures and PhotoluminescenceSemiconductor materials and interfaces

Time-resolved photoluminescence from poly[2-methoxy, 5-(2′-ethyl-hexyloxy)-p-phenylene-vinylene]: Solutions, gels, films, and blends

Laura Smilowitz、Arkansm Hays、Alan J. Heeger 等 5 位作者1993-04-15The Journal of Chemical Physics

We present the results of time-resolved luminescence studies of poly[2-methoxy, 5-(2′-ethyl-hexyloxy)-p-phenylene-vinylene] (MEH-PPV), as a pure film, in solution, in a gel formed by a network of ultrahigh molecular weight polyethylene (UHMW-PE), and in a blend with UHMW-PE. The luminescence has a characteristic lifet…

Organic Light-Emitting Diodes ResearchConducting polymers and applicationsLuminescence and Fluorescent Materials

The use of ultrasound to initiate ring‐opening polymerization

S. J. Stoessel1993-04-15Journal of Applied Polymer Science

Abstract It has been discovered that a combination of heat and high‐power ultrasound can be used to initiate ring‐opening polymerization in cyclic bisphenol A polycarbonate oligomers. The polymerization can be conducted with or without the use of added chemical initiators. The use of ultrasound was extended to prepare…

Epoxy Resin Curing ProcessesUltrasound and Cavitation Phenomena

Microdeformation mechanisms in propylene–ethylene block copolymer

Kosei Hayashi、Tetsuya Morioka、Shigeyuki Toki1993-04-15Journal of Applied Polymer Science

Abstract Blends of propylene–ethylene block copolymer (PEB) and propylene homopolymer (PP) were prepared to give various rubber contents (4–20 wt %). By diluting the PEB with PP with molecular weight equal to that of the PEB matrix, molecular characteristics of all the blends were kept constant. The rubber particle si…

Polymer crystallization and propertiesPolymer Nanocomposites and PropertiesRheology and Fluid Dynamics Studies

Anisotropic Optical Spectra of α-Al2O3Single Crystals in the Vacuum Ultraviolet Region. II. Spectra of Optical Constants

Tetsuhiko Tomiki、Yoshiiku Ganaha、Tomoyoshi Futemma 等 12 位作者1993-04-15Journal of the Physical Society of Japan

The spectra of optical constants of α-Al 2 O 3 single crystals at 297 K and 10 K are presented over the range of photon energies from 6 eV to 120 eV for the electric fields of incident light parallel to optic axis < c > and normal to it. The optical constants include the complex index of refraction, conductivity, comp…

Luminescence Properties of Advanced MaterialsElectron and X-Ray Spectroscopy TechniquesIon-surface interactions and analysis

Difference between nuclear spin relaxation and ionic conductivity relaxation in superionic glasses

K. L. Ngai1993-04-15The Journal of Chemical Physics

Tatsumisago, Angell, and Martin [J. Chem. Phys. 97, 6968 (1992)] have compared conductivity relaxation data and 7Li nuclear spin lattice relaxation (SLR) data measured on a lithium chloroborate glass and found pronounced differences in the most probable relaxation times. The electrical conductivity relaxation (ECR) ti…

Material Dynamics and PropertiesGlass properties and applicationsPhase-change materials and chalcogenides

Breakdown of the Rouse model for polymers near the glass transition temperature

D. J. Plazek、E. Schlosser、Andreas Schönhals 等 4 位作者1993-04-15The Journal of Chemical Physics

The bead-spring model pioneered by Rouse is generally considered to be the basis of polymer physics. We show generally that it breaks down dramatically near the glass transition temperature by shear creep measurements on several polymers with very different backbone structures. The physical origin of this breakdown is…

Polymer crystallization and propertiesMaterial Dynamics and PropertiesRheology and Fluid Dynamics Studies

A new off-lattice Monte Carlo model for polymers: A comparison of static and dynamic properties with the bond-fluctuation model and application to random media

Ivo Gerroff、Andrey Milchev、Kurt Binder 等 4 位作者1993-04-15The Journal of Chemical Physics

A model for a multichain polymer system in three-dimensional continuous space is studied by link cell Monte Carlo methods, using systems up to chain length N=64 and up to 16 384 monomers. The chains consist of beads with a hard core connected by rather stiff harmonic bonds, with a repulsive Lennard-Jones-type interact…

Polymer crystallization and propertiesMaterial Dynamics and PropertiesTheoretical and Computational Physics

Growth mechanism and the order of appearance of diamond (111) and (100) facets

Biwu Sun、Xiaopin Zhang、Zhangda Lin1993-04-15Physical review. B, Condensed matter

Experiments with local gas feeds of methane or acetylene indicate that both ${\mathrm{C}}_{2}$${\mathrm{H}}_{2}$ and ${\mathrm{CH}}_{3}$ contribute to the growth of (111) surfaces, whereas only ${\mathrm{CH}}_{3}$ contributes to that of the (100) surface. High-resolution electron-energy-loss spectroscopy has been used…

Metal and Thin Film MechanicsHigh-pressure geophysics and materialsDiamond and Carbon-based Materials Research

Direct atomic orbital based self-consistent-field calculations of nonlinear molecular properties. Application to the frequency dependent hyperpolarizability of para-nitroaniline

Hans Ågren、Olav Vahtras、Henrik Koch 等 5 位作者1993-04-15The Journal of Chemical Physics

We outline a method for the calculation of nonlinear properties such as dynamic hyperpolarizabilities for self-consistent-field (SCF) wave functions. In this method, two-electron integrals are only addressed in the evaluation of Fock matrices and Fock matrices with one-index transformed integrals. These matrices are d…

Nonlinear Optical Materials ResearchSynthesis and Properties of Aromatic CompoundsElectron Spin Resonance Studies