225 research outputs found
Design definition study of a NASA/Navy lift/cruise fan technology V/STOL airplane: Risk assessment addendum to the final report
An assessment of risk, in terms of delivery delays, cost overrun, and performance achievement, associated with the V/STOL technology airplane is presented. The risk is discussed in terms of weight, structure, aerodynamics, propulsion, mechanical drive, and flight controls. The analysis ensures that risks associated with the design and development of the airplane will be eliminated in the course of the program and a useful technology airplane that meets the predicted cost, schedule, and performance can be produced
Nonradiative Electronic Deexcitation Time Scales in Metal Clusters
The life-times due to Auger-electron emission for a hole on a deep electronic
shell of neutral and charged sodium clusters are studied for different sizes.
We consider spherical clusters and calculate the Auger-transition probabilities
using the energy levels and wave functions calculated in the
Local-Density-Approximation (LDA).
We obtain that Auger emission processes are energetically not allowed for
neutral and positively charged sodium clusters. In general, the Auger
probabilities in small Na clusters are remarkably different from the
atomic ones and exhibit a rich size dependence.
The Auger decay times of most of the cluster sizes studied are orders of
magnitude larger than in atoms and might be comparable with typical
fragmentation times.Comment: 11 pages, 4 figures. Accepted for publication in Phys. Rev.
Nesting properties and anomalous band effect in MgB2
First principle FLAPW band calculations of the new superconductor MgB2 were
performed and the polarization function P12(Q) between the two p-bands mainly
formed of boron pz-orbital was calculated. We found that P12(Q) is
substantially enhanced around Q=(0,0,p/c), which supports the two-band
mechanism of superconductivity for MgB2. P12(Q) peaks at Qz ~ 0.3(2p/c) and Qz
\~ 0.5(2p/c). These two peaks are related to the nesting of these Fermi
surfaces, but significantly deviates from the position expected from the
simplest tight-binding bands for the p-bands. From the calculations for
different lattice parameters, we have found significant dependences on the
isotopic species of B and on the pressure effect of the polarization function
in accordance with the respective changes of Tc in the above-mentioned
framework.Comment: 15 pages, 7 graphs. to be published in J. Phys. Soc. Jpn. 70_, No.
Nonlinear effects in E Jahn-Teller model: Variational approach with excited phonon states and mode correlations
Interplay of nonlinear and quantum effects in the ground state of the
E Jahn-Teller model was investigated by the {\it variational
approach and exact numerical simulations}. They result in the recognition of
(i) importance of the admixture of {\it the first excited state of the
displaced harmonic oscillator} of the symmetric phonon mode in the ground state
of the system in the selftrapping-dominated regime; (ii) existence of {\it the
region of localized -undisplaced oscillator states} in the
tunneling-dominated regime. The effect (i) occurs owing to significant decrease
of the ground state energy on account of the overlapping contribution of the
symmetric phonon mode between the states of the same parity. This contribution
considerably improves variational results especially in the
selftrapping-dominated regime. Close to the Ee limit, the nonlinear
effects of {\it two-mode correlations} turn to be effective due to the
rotational symmetry of this case. In the tunneling-dominated regime the phonon
wave functions behave like the strongly localized harmonic oscillator ground
state and the effect (i) looses its significance.Comment: 28 pages,6 figure
A critical assessment of the Self-Interaction Corrected Local Density Functional method and its algorithmic implementation
We calculate the electronic structure of several atoms and small molecules by
direct minimization of the Self-Interaction Corrected Local Density
Approximation (SIC-LDA) functional. To do this we first derive an expression
for the gradient of this functional under the constraint that the orbitals be
orthogonal and show that previously given expressions do not correctly
incorporate this constraint. In our atomic calculations the SIC-LDA yields
total energies, ionization energies and charge densities that are superior to
results obtained with the Local Density Approximation (LDA). However, for
molecules SIC-LDA gives bond lengths and reaction energies that are inferior to
those obtained from LDA. The nonlocal BLYP functional, which we include as a
representative GGA functional, outperforms both LDA and SIC-LDA for all ground
state properties we considered.Comment: 14 pages, 5 figure
Phase Diagram of Diluted Magnetic Semiconductor Quantum Wells
The phase diagram of diluted magnetic semiconductor quantum wells is
investigated. The interaction between the carriers in the hole gas can lead to
first order ferromagnetic transitions, which remain abrupt in applied fields.
These transitions can be induced by magnetic fields or, in double-layer systems
by electric fields. We make a number of precise experimental predictions for
observing these first order phase transitions.Comment: 4 pages, 3 figures include
The possible explanation of electric-field-doped C60 phenomenology in the framework of Eliashberg theory
In a recent paper (J.H. Schon, Ch. Kloc, R.C. Haddon and B. Batlogg, Nature
408 (2000) 549) a large increase in the superconducting critical temperature
was observed in C60 doped with holes by application of a high electric field.
We demonstrate that the measured Tc versus doping curves can be explained by
solving the (four) s-wave Eliashberg equations in the case of a finite,
non-half-filled energy band. In order to reproduce the experimental data, we
assume a Coulomb pseudopotential depending on the filling in a very simple and
plausible way. Reasonable values of the physical parameters involved are
obtained. The application of the same approach to new experimental data (J.H.
Schon, Ch. Kloc and B. Batlogg, Science 293 (2001) 2432) on electric
field-doped, lattice-expanded C60 single crystals (Tc=117 K in the hole-doped
case) gives equally good results and sets a theoretical limit to the linear
increase of Tc at the increase of the lattice spacing.Comment: latex2e, 6 pages, 7 figures, 1 table, revised versio
Nonadiabatic effects in a generalized Jahn-Teller lattice model: heavy and light polarons, pairing and metal-insulator transition
The ground state polaron potential of 1D lattice of two-level molecules with
spinless electrons and two Einstein phonon modes with quantum phonon-assisted
transitions between the levels is found anharmonic in phonon displacements. The
potential shows a crossover from two nonequivalent broad minima to a single
narrow minimum corresponding to the level positions in the ground state.
Generalized variational approach implies prominent nonadiabatic effects:(i) In
the limit of the symmetric E-e Jahn- Teller situation they cause transition
between the regime of the predominantly one-level "heavy" polaron and a "light"
polaron oscillating between the levels due to phonon assistance with almost
vanishing polaron displacement. It implies enhancement of the electron transfer
due to decrease of the "heavy" polaron mass (undressing) at the point of the
transition. Pairing of "light" polarons due to exchange of virtual phonons
occurs. Continuous transition to new energy ground state close to the
transition from "heavy" polaron phase to "light" (bi)polaron phase occurs. In
the "heavy" phase, there occurs anomalous (anharmonic) enhancements of quantum
fluctuations of the phonon coordinate, momentum and their product as functions
of the effective coupling. (ii) Dependence of the polaron mass on the optical
phonon frequency appears.(iii) Rabi oscillations significantly enhance quantum
shift of the insulator-metal transition line to higher values of the critical
effective e-ph coupling supporting so the metallic phase. In the E-e JT case,
insulator-metal transition coincide with the transition between the "heavy" and
the "light" (bi)polaron phase at certain (strong) effective e-ph interaction.Comment: Paper in LaTex format (file jtseptx.tex) and 9 GIF-figures
(ppic_1.gif,...ppic_9.gif
Study of a Nonlocal Density scheme for electronic--structure calculations
An exchange-correlation energy functional beyond the local density
approximation, based on the exchange-correlation kernel of the homogeneous
electron gas and originally introduced by Kohn and Sham, is considered for
electronic structure calculations of semiconductors and atoms. Calculations are
carried out for diamond, silicon, silicon carbide and gallium arsenide. The
lattice constants and gaps show a small improvement with respect to the LDA
results.
However, the corresponding corrections to the total energy of the isolated
atoms are not large enough to yield a substantial improvement for the cohesive
energy of solids, which remains hence overestimated as in the LDA.Comment: 4 postscript figure
Electric multipole plasmons in deformed sodium clusters
The random-phase-approximation (RPA) method with separable residual forces
(SRPA) is proposed for the description of multipole electric oscillations of
valence electrons in deformed alkali metal clusters. Both the deformed mean
field and residual interaction are derived self-consistently from the Kohn-Sham
functional. SRPA drastically simplifies the computational effort which is
urgent if not decisive for deformed systems. The method is applied to the
description of dipole, quadrupole and octupole plasmons in deformed sodium
clusters of a moderate size. We demonstrate that, in clusters with the size
N>50, Landau damping successfully competes with deformation splitting and even
becomes decisive in forming the width and gross structure of the dipole
plasmon. Besides, the plasmon is generated by excitations from both ground
state and shape isomers. In such clusters familiar experimental estimates for
deformation splitting of dipole plasmon are useless.Comment: 27 pages, 10 figure
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