2,321 research outputs found
Theoretical study of O adlayers on Ru(0001)
Recent experiments performed at high pressures indicate that ruthenium can
support unusually high concentrations of oxygen at the surface. To investigate
the structure and stability of high coverage oxygen structures, we performed
density functional theory calculations, within the generalized gradient
approximation, for O adlayers on Ru(0001) from low coverage up to a full
monolayer. We achieve quantitative agreement with previous low energy electron
diffraction intensity analyses for the (2x2) and (2x1) phases and predict that
an O adlayer with a (1x1) periodicity and coverage of 1 monolayer can form on
Ru(0001), where the O adatoms occupy hcp-hollow sites.Comment: RevTeX, 6 pages, 4 figure
Morphologic, immunologic and cytogenetic studies in erythroleukaemia: evidence for multilineage involvement and identification of two distinct cytogenetic-clinicopathological types
Electric fields and valence band offsets at strained [111] heterojunctions
[111] ordered common atom strained layer superlattices (in particular the
common anion GaSb/InSb system and the common cation InAs/InSb system) are
investigated using the ab initio full potential linearized augmented plane wave
(FLAPW) method. We have focused our attention on the potential line-up at the
two sides of the homopolar isovalent heterojunctions considered, and in
particular on its dependence on the strain conditions and on the strain induced
electric fields. We propose a procedure to locate the interface plane where the
band alignment could be evaluated; furthermore, we suggest that the
polarization charges, due to piezoelectric effects, are approximately confined
to a narrow region close to the interface and do not affect the potential
discontinuity. We find that the interface contribution to the valence band
offset is substantially unaffected by strain conditions, whereas the total band
line-up is highly tunable, as a function of the strain conditions. Finally, we
compare our results with those obtained for [001] heterojunctions.Comment: 18 pages, Latex-file, to appear in Phys.Rev.
Polarity in GaN and ZnO: Theory, measurement, growth, and devices
This article may be downloaded for personal use only. Any other use requires prior permission of the author and AIP Publishing. This article appeared in Appl. Phys. Rev. 3, 041303 (2016) and may be found at https://doi.org/10.1063/1.4963919.The polar nature of the wurtzite crystalline structure of GaN and ZnO results in the existence of a spontaneous electric polarization within these materials and their associated alloys (Ga,Al,In)N and (Zn,Mg,Cd)O. The polarity has also important consequences on the stability of the different crystallographic surfaces, and this becomes especially important when considering epitaxial growth. Furthermore, the internal polarization fields may adversely affect the properties of optoelectronic devices but is also used as a potential advantage for advanced electronic devices. In this article, polarity-related issues in GaN and ZnO are reviewed, going from theoretical considerations to electronic and optoelectronic devices, through thin film, and nanostructure growth. The necessary theoretical background is first introduced and the stability of the cation and anion polarity surfaces is discussed. For assessing the polarity, one has to make use of specific characterization methods, which are described in detail. Subsequently, the nucleation and growth mechanisms of thin films and nanostructures, including nanowires, are presented, reviewing the specific growth conditions that allow controlling the polarity of such objects. Eventually, the demonstrated and/or expected effects of polarity on the properties and performances of optoelectronic and electronic devices are reported. The present review is intended to yield an in-depth view of some of the hot topics related to polarity in GaN and ZnO, a fast growing subject over the last decade
One Body Density Matrix, Natural Orbits and Quasi Hole States in 16O and 40Ca
The one body density matrix, momentum distribution, natural orbits and quasi
hole states of 16O and 40Ca are analyzed in the framework of the correlated
basis function theory using state dependent correlations with central and
tensor components. Fermi hypernetted chain integral equations and single
operator chain approximation are employed to sum cluster diagrams at all
orders. The optimal trial wave function is determined by means of the
variational principle and the realistic Argonne v8' two-nucleon and Urbana IX
three-nucleon interactions. The correlated momentum distributions are in good
agreement with the available variational Monte Carlo results and show the well
known enhancement at large momentum values with respect to the independent
particle model. Diagonalization of the density matrix provides the natural
orbits and their occupation numbers. Correlations deplete the occupation number
of the first natural orbitals by more than 10%. The first following ones result
instead occupied by a few percent. Jastrow correlations lower the spectroscopic
factors of the valence states by a few percent (~1-3%) and an additional ~8-12%
depletion is provided by tensor correlations. It is confirmed that short range
correlations do not explain the spectroscopic factors extracted from (e,e'p)
experiments. 2h-1p perturbative corrections in the correlated basis are
expected to provide most of the remaining strength, as in nuclear matter.Comment: 25 pages, 9 figures. Submitted to Phys.Rev.
Two-proton overlap functions in the Jastrow correlation method and cross section of the OC reaction
Using the relationship between the two-particle overlap functions (TOF's) and
the two-body density matrix (TDM), the TOF's for the
OC reaction are calculated on the
basis of a TDM obtained within the Jastrow correlation method. The main
contributions of the removal of and pairs from O
are considered in the calculation of the cross section of the
OC reaction using the Jastrow TOF's
which include short-range correlations (SRC). The results are compared with the
cross sections calculated with different theoretical treatments of the TOF's.Comment: 10 pages, 8 figures, ReVTeX
Photoelasticity of crystalline and amorphous silica from first principles
Based on density-functional perturbation theory we have computed from first
principles the photoelastic tensor of few crystalline phases of silica at
normal conditions and high pressure (quartz, -cristobalite,
-cristobalite) and of models of amorphous silica (containig up to 162
atoms), obtained by quenching from the melt in combined classical and
Car-Parrinello molecular dynamics simulations. The computational framework has
also been checked on the photoelastic tensor of crystalline silicon and MgO as
prototypes of covalent and ionic systems. The agreement with available
experimental data is good.
A phenomenological model suitable to describe the photoelastic properties of
different silica polymorphs is devised by fitting on the ab-initio data.Comment: ten figure
Evaluation of Transmission Line Model Structures for Silicide-to-Silicon Specific Contact Resistance Extraction
A Study of Time-Dependent CP-Violating Asymmetries and Flavor Oscillations in Neutral B Decays at the Upsilon(4S)
We present a measurement of time-dependent CP-violating asymmetries in
neutral B meson decays collected with the BABAR detector at the PEP-II
asymmetric-energy B Factory at the Stanford Linear Accelerator Center. The data
sample consists of 29.7 recorded at the
resonance and 3.9 off-resonance. One of the neutral B mesons,
which are produced in pairs at the , is fully reconstructed in
the CP decay modes , , , () and , or in flavor-eigenstate
modes involving and (). The flavor of the other neutral B meson is tagged at the time of
its decay, mainly with the charge of identified leptons and kaons. The proper
time elapsed between the decays is determined by measuring the distance between
the decay vertices. A maximum-likelihood fit to this flavor eigenstate sample
finds . The value of the asymmetry amplitude is determined from
a simultaneous maximum-likelihood fit to the time-difference distribution of
the flavor-eigenstate sample and about 642 tagged decays in the
CP-eigenstate modes. We find , demonstrating that CP violation exists in the neutral B meson
system. (abridged)Comment: 58 pages, 35 figures, submitted to Physical Review
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