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Influence of gradient corrections on the bulk and surface properties ofTiO2andSnO2

Jacek Goniakowski、J. M. Holender、Lev Kantorovich 等 5 位作者1996-01-15Physical review. B, Condensed matter

First-principles calculations based on density-functional theory and the pseudopotential method have been used to investigate the influence of gradient corrections to the standard local-density-approximation technique on the equilibrium structure and energetics of rutile ${\mathrm{TiO}}_{2}$ and ${\mathrm{SnO}}_{2}$ p…

Electronic and Structural Properties of OxidesCopper-based nanomaterials and applicationsZnO doping and properties

Spatially resolved studies of charge-density-wave dynamics and phase slip inNbSe3

T. L. Adelman、M. C. de Lind van Wijngaarden、S. V. Zaǐtsev-Zotov 等 5 位作者1996-01-15Physical review. B, Condensed matter

We have performed spatially resolved measurements of the charge-density-wave (CDW) response to bipolar current pulses. These measurements directly yield the distribution of the CDW phase slip, the temporal evolution of the CDW elastic-force and strain profiles, and the local relationship between the phase-slip rate an…

Organic and Molecular Conductors ResearchPerovskite Materials and ApplicationsSolid-state spectroscopy and crystallography

Epitaxial silver layer at the MgO(100) surface

A.-M. Flank、Renaud Delaunay、P. Lagarde 等 5 位作者1996-01-15Physical review. B, Condensed matter

The Ag/MgO(100) interface has been studied by EXAFS. At room temperature, in agreement with previous investigations, silver at low coverage is shown to form a two-dimensional layer at the MgO(100) surface. EXAFS data demonstrate that the lattice parameter of the silver overlayer is expanded so as to fit the MgO parame…

ZnO doping and propertiesX-ray Diffraction in CrystallographyMagnesium Oxide Properties and Applications

Analysis of the vibrational, static and dynamic, second hyperpolarizability of five small molecules

David M. Bishop、Erik K. Dalskov1996-01-15The Journal of Chemical Physics

Various approximate methods for the calculation of vibrational second hyperpolarizabilities are assessed on the basis of results for CH4, NH3, H2O, HF, and CO2. Three specific variations of the perturbation-theoretic approach are analyzed. These are defined by the types of terms retained in expansions which involve el…

Nonlinear Optical Materials ResearchOrganic Chemistry Cycloaddition ReactionsChemical Thermodynamics and Molecular Structure

Normal to relaxor ferroelectric transformations in lanthanum-modified tetragonal-structured lead zirconate titanate ceramics

Xunhu Dai、Z. Xu、D. Viehland1996-01-15Journal of Applied Physics

Lanthanum modified lead zirconate titanate (PLZT) ceramics near a crossover between normal and relaxor ferroelectric states for Zr/Ti ratios of 40/60, 20/80, and 0/100 were investigated by dielectric spectroscopy, Sawyer–Tower polarization techniques and transmission electron microscopy. It was found possible to induc…

Solid-state spectroscopy and crystallographyGlass properties and applicationsFerroelectric and Piezoelectric Materials

Reconstructive Phase Transitions: In Crystals and Quasicrystals

P. Tolédano、Vladimir Dmitriev1996-01-15OpenAlex

This book deals with the phenomenological theory of first-order structural phase transitions, with a special emphasis on reconstructive transformations in which a group-subgroup relationship between the symmetries of the phases is absent. It starts with a unified presentation of the current approach to first-order pha…

Quasicrystal Structures and PropertiesMaterial Science and Thermodynamics

Energy Dependence of Electron Lifetime in Graphite Observed with Femtosecond Photoemission Spectroscopy

Sheng Xu、Jianming Cao、Carl C. Miller 等 6 位作者1996-01-15Physical Review Letters

The energy dependence of the electron lifetime in graphite was measured using femtosecond time-resolved photoemission spectroscopy. The lifetime was found to be inversely proportional to the excitation energy above the Fermi level, i.e., $({E\ensuremath{-}E}_{F}{)}^{\ensuremath{-}1}$, in sharp contrast to that of meta…

Graphene research and applicationsElectron and X-Ray Spectroscopy TechniquesSurface and Thin Film Phenomena

Superlattices of PbZrO3 and PbTiO3 prepared by multi-ion-beam sputtering

Isaku Kanno、Shohei Hayashi、Ryoichi Takayama 等 4 位作者1996-01-15Applied Physics Letters

Artificial superlattices consisting of antiferroelectric PbZrO3 (PZO) and ferroelectric PbTiO3 (PTO) have been fabricated by a multi-ion-beam sputtering technique. The epitaxial PZO and PTO layers were sequentially grown on (100)Pt/MgO substrates at a low substrate temperature of 415 °C with a periodicity from 5 to 10…

Photorefractive and Nonlinear OpticsMultiferroics and related materialsFerroelectric and Piezoelectric Materials

Enhancement of electron-hole exchange interaction in CdSe nanocrystals: A quantum confinement effect

M. Chamarro、C. Gourdon、P. Lavallard 等 5 位作者1996-01-15Physical review. B, Condensed matter

Photoluminescence of CdSe nanocrystals in a glass matrix was investigated at low temperature with size-selective excitation. The emission spectrum consists of a line a few meV below the excitation laser energy (denoted the F line) and a two-phonon replica superimposed on a broadband. The energy difference between the…

Crystal Structures and PropertiesQuantum Dots Synthesis And PropertiesChalcogenide Semiconductor Thin Films

Ultrafast carrier dynamics in semiconductor quantum dots

Victor I. Klimov、P. Haring Bolívar、H. Kurz1996-01-15Physical review. B, Condensed matter

The dynamics of band-edge photoluminescence (PL) in CdS nanocrystals (NC's) dispersed in a glass matrix are studied with the femtosecond up-conversion technique. The time-resolved PL spectra exhibit several discrete features (three of them are in the NC energy band gap) which are not pronounced in a cw PL spectrum. Th…

Quantum Dots Synthesis And PropertiesChalcogenide Semiconductor Thin FilmsSemiconductor Quantum Structures and Devices

Study of the effect of hydrogen on transport properties in chemical vapor deposited diamond films by Hall measurements

Kazushi Hayashi、Sadanori Yamanaka、Hideyo Okushi 等 4 位作者1996-01-15Applied Physics Letters

Using Hall effect measurements, we have investigated carrier transport in a high-conductivity layer formed in the surface region of as-deposited homoepitaxial diamond films prepared by chemical vapor deposition. The results of undoped and B-doped films were compared to those obtained from an oxidized B-doped film. It…

Semiconductor materials and devicesDiamond and Carbon-based Materials ResearchMetal and Thin Film Mechanics

Preparation and properties of highly tetrahedral hydrogenated amorphous carbon

M. Weiler、S. Sattel、Tobias W. Giessen 等 7 位作者1996-01-15Physical review. B, Condensed matter

A highly tetrahedrally bonded, hydrogenated amorphous carbon (ta-C:H) has been deposited from an acetylene-fed plasma beam source. The plasma beam source is operated to provide a highly ionized, monoenergetic plasma beam of ${\mathrm{C}}_{2}$${\mathrm{H}}_{2}^{+}$ ions. The resulting films are characterized in terms o…

High-pressure geophysics and materialsMetal and Thin Film MechanicsDiamond and Carbon-based Materials Research

Quantum Transport in a Multiwalled Carbon Nanotube

L. Langer、V. Bayot、E. Grivei 等 9 位作者1996-01-15Physical Review Letters

We report on electrical resistance measurements of an individual carbon nanotube down to a temperature $T\phantom{\rule{0ex}{0ex}}=\phantom{\rule{0ex}{0ex}}20\mathrm{mK}$. The conductance exhibits a $\mathrm{ln}T$ dependence and saturates at low temperature. A magnetic field applied perpendicular to the tube axis incr…

Carbon Nanotubes in CompositesNanopore and Nanochannel Transport StudiesGraphene research and applications

Semiconductor effective charges from tight-binding theory

J. Bennetto、David Vanderbilt1996-01-15arXiv

We calculate the transverse effective charges of zincblende compound semiconductors using Harrison's tight-binding model to describe the electronic structure. Our results, which are essentially exact within the model, are found to be in much better agreement with experiment than previous perturbation-theory estimates.…

Materials Sciencemtrl-th

Tunneling conductance of connected carbon nanotubes

Riichiro Saito、G. Dresselhaus、M. S. Dresselhaus1996-01-15OpenAlex

A three-dimensional structure of two carbon nanotubes (CN) joined by a connecting region containing a pentagon and heptagon pair is given by the use of a projection method. The connecting joint is uniquely determined for the given two chiral vectors of CN by a vector which defines a three-dimensional dihedral angle. T…

Carbon Nanotubes in CompositesQuantum and electron transport phenomenaGraphene research and applications

Electronic structure of early 3d-transition-metal oxides by analysis of the 2pcore-level photoemission spectra

Antoine Bocquet、T. Mizokawa、Kyojiro Morikawa 等 9 位作者1996-01-15OpenAlex

The electronic structures of a wide range of early transition-metal (TM) compounds, including Ti and V oxides with metal valences ranging from 2+ to 5+ and formal d-electron numbers ranging from 0 to 2, have been investigated by a configuration-interaction cluster model analysis of the core-level metal 2p x-ray photoe…

Advancements in Battery MaterialsElectron and X-Ray Spectroscopy TechniquesElectronic and Structural Properties of Oxides

Quantum Confined Luminescence inSi/SiO2Superlattices

D. J. Lockwood、Z. H. Lu、J.‐M. Baribeau1996-01-15OpenAlex

Superlattices of $\mathrm{Si}/{\mathrm{SiO}}_{2}$ have been grown at room temperature with atomic layer precision using state of the art molecular beam epitaxy and ultraviolet ozone treatment. Photoluminescence was observed at wavelengths across the visible range for Si layer thicknesses $1<d<3\phantom{\rule{0ex…

Silicon Nanostructures and PhotoluminescenceSemiconductor materials and devicesThin-Film Transistor Technologies

Electronic structure and half-metallic transport in theLa1−xCaxMnO3system

Warren E. Pickett、David J. Singh1996-01-15OpenAlex

Possible origins of ``colossal magnetoresistance'' (CMR) behavior in the ${\mathrm{La}}_{1\mathrm{\ensuremath{-}}\mathit{x}}$${\mathrm{Ca}}_{\mathit{x}}$${\mathrm{MnO}}_{3}$ system are studied using the local spin-density method. These calculations allow the quantification of the effects of Mn d--O p hybridization tha…

Advanced Condensed Matter PhysicsMagnetic and transport properties of perovskites and related materialsRare-earth and actinide compounds

Magnetic-field-induced metal-insulator phenomena inPr1−xCaxMnO3with controlled charge-ordering instability

Y. Tomioka、A. Asamitsu、H. Kuwahara 等 5 位作者1996-01-15OpenAlex

Field-induced insulator-to-metal transitions have been found in ${\mathrm{Pr}}_{1\ensuremath{-}x}{\mathrm{Ca}}_{x}\mathrm{Mn}{\mathrm{O}}_{3}(0.3<~x<~0.5)$ single crystals, which are accompanied by a melting of the insulating charge-ordered (i.e., ${\mathrm{Mn}}^{3+}$/${\mathrm{Mn}}^{4+}$ ordered) state. The tra…

High-pressure geophysics and materialsMagnetic and transport properties of perovskites and related materialsAdvanced Condensed Matter Physics

Correlation between photoluminescence and oxygen vacancies in ZnO phosphors

K. Vanheusden、C. H. Seager、W. L. Warren 等 5 位作者1996-01-15OpenAlex

By combining electron paramagnetic resonance (EPR), optical absorption, and photoluminescence (PL) spectroscopy, a strong correlation is observed between the green 510 nm emission, the free-carrier concentration, and the density of singly ionized oxygen vacancies in commercial ZnO phosphor powders. From these results,…

Ga2O3 and related materialsGas Sensing Nanomaterials and SensorsLuminescence Properties of Advanced Materials