325 research outputs found
Three-dimensional electronic instabilities in polymerized solid A1C60
The low-temperature structure of A1C60 (A=K, Rb) is an ordered array of
polymerized C60 chains, with magnetic properties that suggest a non-metallic
ground state. We study the paramagnetic state of this phase using
first-principles electronic-structure methods, and examine the magnetic
fluctuations around this state using a model Hamiltonian. The electronic and
magnetic properties of even this polymerized phase remain strongly three
dimensional, and the magnetic fluctuations favor an unusual three-dimensional
antiferromagnetically ordered structure with a semi-metallic electronic
spectrum.Comment: REVTeX 3.0, 10 pages, 4 figures available on request from
[email protected]
Inter-site Coulomb interaction and Heisenberg exchange
Based on exact diagonalization results for small clusters we discuss the
effect of inter-site Coulomb repulsion in Mott-Hubbard or charge transfer
insulators. Whereas the exchange constant J for direct exchange is
substantially enhanced by inter-site Coulomb interaction, that for
superexchange is suppressed. The enhancement of J in the single-band models
holds up to the critical value for the charge density wave (CDW) instability,
thus opening the way for large values of J. Single-band Hubbard models with
sufficiently strong inter-site repulsion to be near a CDW instability thus may
provide `physical' realizations of t-J like models with the `unphysical'
parameter ratio J/t=1.Comment: Revtex file, 4 PRB pages, with 5 embedded ps-files. To appear in PRB,
rapid communications. Hardcopies of figures or the entire manuscript may also
be obtained by e-mail request to: [email protected]
Multi-Orbital Hubbard Model in Infinite Dimensions: Quantum Monte Carlo Calculation
Using Quantum Monte Carlo we compute thermodynamics and spectra for the
orbitally degenerate Hubbard model in infinite spatial dimensions. With
increasing orbital degeneracy we find in the one-particle spectra: broader
Hubbard bands (consistent with increased kinetic energy), a narrowing Mott gap,
and increasing quasi-particle spectral weight. In opposition, Hund's rule
exchange coupling decreases the critical on-site Coulomb energy for the Mott
transition. The metallic regime resistivity for two-fold degeneracy is
quadratic-in-temperature at low temperatures.Comment: 4 pages, 4 figures, to be published in PR
Frenkel and charge transfer excitons in C60
We have studied the low energy electronic excitations of C60 using momentum
dependent electron energy-loss spectroscopy in transmission. The momentum
dependent intensity of the gap excitation allows the first direct experimental
determination of the energy of the 1Hg excitation and thus also of the total
width of the multiplet resulting from the gap transition. In addition, we could
elucidate the nature of the following excitations - as either Frenkel or charge
transfer excitons.Comment: RevTEX, 3 Figures, to appear in Phys. Rev.
Auger transition from orbitally degenerate systems: Effects of screening and multielectron excitations
We calculate Auger spectra given by the two-hole Green's function from
orbitally degenerate Hubbard-like models as a function of correlation strength
and band filling. The resulting spectra are qualitatively different from those
obtained from fully-filled singly degenerate models due to the presence of
screening dynamics and multielectron excitations. Application to a real system
shows remarkable agreement with experimental results leading to
reinterpretation of spectral features.Comment: To appear in Phy. Rev. Let
Metal-Insulator Transitions in Degenerate Hubbard Models and AC
Mott-Hubbard metal-insulator transitions in -fold degenerate Hubbard
models are studied within the Gutzwiller approximation. For any rational
filling with (integer) electrons per site it is found that metal-insulator
transition occurs at a critical correlation energy
, where
is the band energy per particle for the uncorrelated Fermi-liquid state and
is a geometric factor which increases linearly with . We
propose that the alkali metal doped fullerides can be described by
a 3-fold degenerate Hubbard model. Using the current estimate of band width and
correlation energy this implies that most of , at integer ,
are Mott-Hubbard insulators and is a strongly correlated
metal.Comment: 10 pages, Revte
Total colonic aganglionosis : multicentre study of surgical treatment and patient-reported outcomes up to adulthood
Background: Surgery for total colonic aganglionosis (TCA) is designed to preserve continence and achieve satisfactory quality of life. This study evaluated a comprehensive group of clinical and social outcomes. Methods: An international multicentre study from eight Nordic hospitals involving examination of case records and a patient-reported questionnaire survey of all patients born with TCA between 1987 and 2006 was undertaken. Results: Of a total of 116 patients, five (4 center dot 3 per cent) had died and 102 were traced. Over a median follow-up of 12 (range 0 center dot 3-33) years, bowel continuity was established in 75 (73 center dot 5 per cent) at a median age of 11 (0 center dot 5-156) months. Mucosectomy with a short muscular cuff and straight ileoanal anastomosis (SIAA) (29 patients) or with aJpouch (JIAA) (26) were the most common reconstructions (55 of 72, 76 per cent). Major early postoperative complications requiring surgical intervention were observed in four (6 per cent) of the 72 patients. In 57 children aged over 4 years, long-term functional bowel symptoms after reconstruction included difficulties in holding back defaecation in 22 (39 per cent), more than one faecal accident per week in nine (16 per cent), increased frequency of defaecation in 51 (89 per cent), and social restrictions due to bowel symptoms in 35 (61 per cent). Enterocolitis occurred in 35 (47 per cent) of 72 patients. Supplementary enteral and/or parenteral nutrition was required by 51 (55 per cent) of 93 patients at any time during follow-up. Of 56 responders aged 2-20 years, true low BMI for age was found in 20 (36 per cent) and 13 (23 per cent) were short for age. Conclusion: Reconstruction for TCA was associated with persistent bowel symptoms, and enterocolitis remained common. Multidisciplinary follow-up, including continuity of care in adulthood, might improve care standards in patients with TCA.Peer reviewe
Divertor conditions relevant for fusion reactors achieved with linear plasma generator
Intense magnetized hydrogen and deuterium plasmas have been produced with electron densities up to 3.6¿×¿1020¿m-3 and electron temperatures up to 3.7¿eV with a linear plasma generator. Exposure of a W target has led to average heat and particle flux densities well in excess of 4¿MW m-2 and 1024¿m-2 s-1, respectively. We have shown that the plasma surface interactions are dominated by the incoming ions. The achieved conditions correspond very well to the projected conditions at the divertor strike zones of fusion reactors such as ITER. In addition, the machine has an unprecedented high gas efficiency
Screening, Coulomb pseudopotential, and superconductivity in alkali-doped Fullerenes
We study the static screening in a Hubbard-like model using quantum Monte
Carlo. We find that the random phase approximation is surprisingly accurate
almost up to the Mott transition. We argue that in alkali-doped Fullerenes the
Coulomb pseudopotential is not very much reduced by retardation
effects. Therefore efficient screening is important in reducing
sufficiently to allow for an electron-phonon driven superconductivity. In this
way the Fullerides differ from the conventional picture, where retardation
effects play a major role in reducing the electron-electron repulsion.Comment: 4 pages RevTeX with 2 eps figures, additional material available at
http://www.mpi-stuttgart.mpg.de/docs/ANDERSEN/fullerene
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