Electron correlations, spontaneous magnetization and momentum density in quantum dots

The magnetization of quantum dots is discussed in terms of a relatively simple but exactly solvable model Hamiltonian. The model predicts oscillations in spin polarization as a function of dot radius for a fixed electron density. These oscillations in magnetization are shown to yield distinct signature in the momentum density of the electron gas, suggesting the usefulness of momentum resolved spectroscopies for investigating the magnetization of dot systems. We also present variational quantum Monte Carlo calculations on a square dot containing 12 electrons in order to gain insight into correlation effects on the interactions between like and unlike spins in a quantum dot.Comment: 6 pages, 4 figure

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.

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

Electronic structure, magnetism and superconductivity of MgCNi3_{3}

The electronic structure of the newly discovered superconducting perovskite MgCNi$_3$ is calculated using the LMTO and KKR methods. The states near the Fermi energy are found to be dominated by Ni-d. The Stoner factor is low while the electron-phonon coupling constant is estimated to be about 0.7, which suggests that the material is a conventional type of superconductor where T$_C$ is not affected by magnetic interactions. However, the proximity of the Fermi energy to a large peak in the density of states in conjunction with the reported non-stoichiometry of the compound, has consequences for the stability of the results.Comment: 3 pages, 4 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

Nonlinear effects in E⊗(b1+b2)\otimes(b_1+b_2) 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$\otimes (b_1+b_2)$ 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 $b_1$-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 E$\otimes$e 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

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$_N^-$ 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.

A complex storm system in Saturn’s north polar atmosphere in 2018

Producción CientíficaSaturn’s convective storms usually fall in two categories. One consists of mid-sized storms ∼2,000 km wide, appearing as irregular bright cloud systems that evolve rapidly, on scales of a few days. The other includes the Great White Spots, planetary-scale giant storms ten times larger than the mid-sized ones, which disturb a full latitude band, enduring several months, and have been observed only seven times since 1876. Here we report a new intermediate type, observed in 2018 in the north polar region. Four large storms with east–west lengths ∼4,000–8,000 km (the first one lasting longer than 200 days) formed sequentially in close latitudes, experiencing mutual encounters and leading to zonal disturbances affecting a full latitude band ∼8,000 km wide, during at least eight months. Dynamical simulations indicate that each storm required energies around ten times larger than mid-sized storms but ∼100 times smaller than those necessary for a Great White Spot. This event occurred at about the same latitude and season as the Great White Spot in 1960, in close correspondence with the cycle of approximately 60 years hypothesized for equatorial Great White Spots.Ministerio de Economía, Industria y Competitividad - Fondo Europeo de Desarrollo Regional (project AYA2015-65041-P)Gobierno Vasco (project IT-366-19

Electronic structure of undoped and potassium doped coronene investigated by electron energy-loss spectroscopy

We performed electron energy-loss spectroscopy studies in transmission in order to obtain insight into the electronic properties of potassium intercalated coronene, a recently discovered superconductor with a rather high transition temperature of about 15\,K. A comparison of the loss function of undoped and potassium intercalated coronene shows the appearance of several new peaks in the optical gap upon potassium addition. Furthermore, our core level excitation data clearly signal filling of the conduction bands with electrons.Comment: 15 pages, 5 figures. arXiv admin note: substantial text overlap with arXiv:1102.328

Mott transitions in correlated electron systems with orbital degrees of freedom

Mott metal-insulator transitions in an M-fold orbitally degenerate Hubbard model are studied by means of a generalization of the linearized dynamical mean-field theory. The method allows for an efficient and reliable determination of the critical interaction U_c for any integer filling n and different M at zero temperature. For half-filling a linear dependence of U_c on M is found. Inclusion of the (full) Hund's rule exchange J results in a strong reduction of U_c. The transition turns out to change qualitatively from continuous for J=0 to discontinuous for any finite J