385 research outputs found
Local-Ansatz Approach with Momentum Dependent Variational Parameters to Correlated Electron Systems
A new wavefunction which improves the Gutzwiller-type local ansatz method has
been proposed to describe the correlated electron system. The ground-state
energy, double occupation number, momentum distribution function, and
quasiparticle weight have been calculated for the half-filled band Hubbard
model in infinite dimensions. It is shown that the new wavefunction improves
the local-ansatz approach (LA) proposed by Stollhoff and Fulde. Especially,
calculated momentum distribution functions show a reasonable momentum
dependence. The result qualitatively differs from those obtained by the LA and
the Gutzwiller wavefunction. Furthermore, the present approach combined with
the projection operator method CPA is shown to describe quantitatively the
excitation spectra in the insulator regime as well as the critical Coulomb
interactions for a gap formation in infinite dimensions.Comment: To be published in Phys. Soc. Jpn. 77 No.11 (2008
Nonlocal Excitations and 1/8 Singularity in Cuprates
Momentum-dependent excitation spectra of the two-dimensional Hubbard model on
the square lattice have been investigated at zero temperature on the basis of
the full self-consistent projection operator method in order to clarify
nonlocal effects of electron correlations on the spectra. It is found that
intersite antiferromagnetic correlations cause shadow bands and enhance the
Mott-Hubbard splittings near the half-filling. Furthermore nonlocal excitations
are shown to move the critical doping concentration , at
which the singular quasiparticle peak is located just on the Fermi level, from
(the single-site value) to .
The latter suggests the occurance of an instability such as the stripe at
.Comment: 4 pages, 5 figures; to be published in the Journal of Korean Physical
Society (ICM12
Inibidores de amilase em hÃbridos de milho como fator de resistência a Sitophilus zeamais (Coleoptera: Curculionidae).
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Previous issue date: 2007-01-0
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Spectroscopic studies of carbon containing molecules and their break-up in PISCES-A
We have used the PISCES-A facility in order to study the behavior of carbon containing molecules in a representative plasma with parameters close to that of a tokamak boundary layer, CH{sub 4}, C{sub 2}H{sub 2}, C{sub 2}H{sub 4}, CO, and CO{sub 2} molecules were introduced through a slit aperture into a helium plasma and the radiation from these due to electronic excitation was spectrographically recorded. The imaging of the plasma onto the entrance slit of a 1.33m McPherson optical spectrometer was chosen in such a way that simultaneous information about spectral and spatial distribution of the emission could be obtained by an attached photographic camera and an optical multichannel analyser (OMA). The recorded spectra show that many features in previously obtained spectra from limiters originate -- beside from hydrocarbons -- from carbonoxides, which seem to play a major role in the transport of carbon and oxygen. It was also possible to calibrate the radiation intensity of several molecular bands versus the known molecular influx so that an absolute determination of these fluxes from the wall of a fusion device could be done. Measurements of the attenuation of the individual species were carried out, which describe the penetration of carbon, oxygen, and hydrogen atoms into a discharge by taking into account individual steps in the molecular breakup process. 36 refs., 35 figs
First-Principles Dynamical Coherent-Potential Approximation Approach to the Ferromagnetism of Fe, Co, and Ni
Magnetic properties of Fe, Co, and Ni at finite temperatures have been
investigated on the basis of the first-principles dynamical CPA (Coherent
Potential Approximation) combined with the LDA (Local Density Approximation) +
Hamiltonian in the Tight-Binding Linear Muffintin Orbital (TB-LMTO)
representation. The Hamiltonian includes the transverse spin fluctuation terms.
Numerical calculations have been performed within the harmonic approximation
with 4th-order dynamical corrections. Calculated single-particle densities of
states in the ferromagnetic state indicate that the dynamical effects reduce
the exchange splitting, suppress the band width of the quasi-particle state,
and causes incoherent excitations corresponding the 6 eV satellites. Results of
the magnetization vs temperature curves, paramagnetic spin susceptibilities,
and the amplitudes of local moments are presented. Calculated Curie
temperatures () are reported to be 1930K for Fe, 2550K for Co, and
620K for Ni; for Fe and Co are overestimated by a factor of 1.8,
while in Ni agrees with the experimental result. Effective Bohr
magneton numbers calculated from the inverse susceptibilities are 3.0 (Fe), 3.0 (Co), and 1.6 (Ni), being in
agreement with the experimental ones. Overestimate of in Fe and Co
is attributed to the neglects of the higher-order dynamical effects as well as
the magnetic short range order.Comment: 10 pages, 13 figure
Vacuum annealing phenomena in ultrathin TiDy/Pd bi-layer films evaporated on Si(100) as studied by TEM and XPS
Using a combination of TEM and XPS, we made an analysis of the complex high-temperature annealing effect on ultrathin titanium deuteride (TiDy) films evaporated on a Si(100) substrate and covered by an ultrathin palladium layer. Both the preparation and annealing of the TiDy/Pd bi-layer films were performed in situ under UHV conditions. It was found that the surface and bulk morphology of the bi-layer film as well as that of the Si substrate material undergo a microstructural and chemical conversion after annealing and annealing-induced deuterium evolution from the TiDy phase. Energy-filtered TEM (EFTEM) mapping of cross-section images and argon ion sputter depth profiling XPS analysis revealed both a broad intermixing between the Ti and Pd layers and an extensive inter-diffusion of Si from the substrate into the film bulk area. Segregation of Ti at the Pd top layer surface was found to occur by means of angle-resolved XPS (ARXPS) and the EFTEM analyses. Selected area diffraction (SAD) and XPS provided evidence for the formation of a new PdTi2 bimetallic phase within the top region of the annealed film. Moreover, these techniques allowed to detect the initial stages of TiSi phase formation within the film–substrate interlayer
Theory of Spin-Resolved Auger-Electron Spectroscopy from Ferromagnetic 3d-Transition Metals
CVV Auger electron spectra are calculated for a multi-band Hubbard model
including correlations among the valence electrons as well as correlations
between core and valence electrons. The interest is focused on the
ferromagnetic 3d-transition metals. The Auger line shape is calculated from a
three-particle Green function. A realistic one-particle input is taken from
tight-binding band-structure calculations. Within a diagrammatic approach we
can distinguish between the \textit{direct} correlations among those electrons
participating in the Auger process and the \textit{indirect} correlations in
the rest system. The indirect correlations are treated within second-order
perturbation theory for the self-energy. The direct correlations are treated
using the valence-valence ladder approximation and the first-order perturbation
theory with respect to valence-valence and core-valence interactions. The
theory is evaluated numerically for ferromagnetic Ni. We discuss the
spin-resolved quasi-particle band structure and the Auger spectra and
investigate the influence of the core hole.Comment: LaTeX, 12 pages, 8 eps figures included, Phys. Rev. B (in press
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