59 research outputs found
Point symmetries in the Hartree-Fock approach: Symmetry-breaking schemes
We analyze breaking of symmetries that belong to the double point group
D2h(TD) (three mutually perpendicular symmetry axes of the second order,
inversion, and time reversal). Subgroup structure of the D2h(TD) group
indicates that there can be as much as 28 physically different, broken-symmetry
mean-field schemes --- starting with solutions obeying all the symmetries of
the D2h(TD) group, through 26 generic schemes in which only a non-trivial
subgroup of D2h(TD) is conserved, down to solutions that break all of the
D2h(TD) symmetries. Choices of single-particle bases and the corresponding
structures of single-particle hermitian operators are discussed for several
subgroups of D2h(TD).Comment: 10 RevTeX pages, companion paper in nucl-th/991207
Vibrations and Berry Phases of Charged Buckminsterfullerene
A simple model of electron-vibron interactions in buckminsterfullerene ions
is solved semiclassically. Electronic degeneracies of C induce
dynamical Jahn-Teller distortions, which are unimodal for and
bimodal for . The quantization of motion along the Jahn-Teller
manifold leads to a symmetric-top rotator Hamiltonian. I find Molecular
Aharonov-Bohm effects where electronic Berry phases determine the vibrational
spectra, zero point fluctuations, and electrons' pair binding energies. The
latter are relevant to superconductivity in alkali-fullerenes.Comment: Latex 11 pages. IIT-00
Cooperative Jahn-Teller transition and resonant x-ray scattering in thin film
Epitaxial thin films of stoichiometric were grown on substrates using the pulsed laser deposition technique. From the
high resolution x-ray diffraction measurements, the lattice parameters were
determined as a function of temperature and the cooperative Jahn-Teller
transition was found to occur at =573.0 K. Also measured was resonant
x-ray scattering intensity of the orthorhombic (100) peak of
near the Mn K edge from low temperatures to above . We demonstrate that
the integrated intensity of the (100) peak is proportional to the 3/2 power of
the orthorhombic strain at all temperatures, and thus provide an experimental
evidence that the resonant scattering near the Mn K edge in is
largely due to the Jahn-Teller effect.Comment: 13 pages, 4 figure
Development of an approximate method for quantum optical models and their pseudo-Hermicity
An approximate method is suggested to obtain analytical expressions for the
eigenvalues and eigenfunctions of the some quantum optical models. The method
is based on the Lie-type transformation of the Hamiltonians. In a particular
case it is demonstrated that Jahn-Teller Hamiltonian can
easily be solved within the framework of the suggested approximation. The
method presented here is conceptually simple and can easily be extended to the
other quantum optical models. We also show that for a purely imaginary coupling
the Hamiltonian becomes non-Hermitian but -symmetric. Possible generalization of this approach is outlined.Comment: Paper prepared fo the "3rd International Workshop on Pseudo-Hermitian
Hamiltonians in Quantum Physics" June 2005 Istanbul. To be published in
Czechoslovak Journal of Physic
Shift towards pro-inflammatory intestinal bacteria aggravates acute murine colitis via Toll-like receptors 2 and 4.
BACKGROUND: Gut bacteria trigger colitis in animal models and are suspected to aggravate inflammatory bowel diseases. We have recently reported that Escherichia coli accumulates in murine ileitis and exacerbates small intestinal inflammation via Toll-like receptor (TLR) signaling. METHODOLOGY AND PRINCIPAL FINDINGS: Because knowledge on shifts in the intestinal microflora during colitis is limited, we performed a global survey of the colon flora of C57BL/10 wild-type (wt), TLR2(-/-), TLR4(-/-), and TLR2/4(-/-) mice treated for seven days with 3.5% dextrane-sulfate-sodium (DSS). As compared to wt animals, TLR2(-/-), TLR4(-/-), and TLR2/4(-/-) mice displayed reduced macroscopic signs of acute colitis and the amelioration of inflammation was associated with reduced IFN-gamma levels in mesenteric lymph nodes, lower amounts of neutrophils, and less FOXP3-positive T-cells in the colon in situ. During acute colitis E. coli increased in wt and TLR-deficient mice (P<0.05), but the final numbers reached were significantly lower in TLR2(-/-), TLR4(-/-) and TLR2/4(-/-) animals, as compared to wt controls (P<0.01). Concentrations of Bacteroides/ Prevotella spp., and enterococci did not increase during colitis, but their numbers were significantly reduced in the colon of DSS-treated TLR2/4(-/-) animals (P<0.01). Numbers of lactobacilli and clostridia remained unaffected by colitis, irrespective of the TLR-genotype of mice. Culture-independent molecular analyses confirmed the microflora shifts towards enterobacteria during colitis and showed that the gut flora composition was similar in both, healthy wt and TLR-deficient animals. CONCLUSIONS AND SIGNIFICANCE: DSS-induced colitis is characterized by a shift in the intestinal microflora towards pro-inflammatory Gram-negative bacteria. Bacterial products exacerbate acute inflammation via TLR2- and TLR4-signaling and direct the recruitment of neutrophils and regulatory T-cells to intestinal sites. E. coli may serve as a biomarker for colitis severity and DSS-induced barrier damage seems to be a valuable model to further identify bacterial factors involved in maintaining intestinal homeostasis and to test therapeutic interventions based upon anti-TLR strategies
The Orbital Order Parameter in La0.95Sr0.05MnO3 probed by Electron Spin Resonance
The temperature dependence of the electron-spin resonance linewidth in
La0.95Sr0.05MnO3 has been determined and analyzed in the paramagnetic regime
across the orbital ordering transition. From the temperature dependence and the
anisotropy of linewidth and -value the orbital order can be unambiguously
determined via the mixing angle of the wave functions of the -doublet. The linewidth shows a similar evolution with temperature as
resonant x-ray scattering results
A Simple Shell Model for Quantum Dots in a Tilted Magnetic Field
A model for quantum dots is proposed, in which the motion of a few electrons
in a three-dimensional harmonic oscillator potential under the influence of a
homogeneous magnetic field of arbitrary direction is studied. The spectrum and
the wave functions are obtained by solving the classical problem. The ground
state of the Fermi-system is obtained by minimizing the total energy with
regard to the confining frequencies. From this a dependence of the equilibrium
shape of the quantum dot on the electron number, the magnetic field parameters
and the slab thickness is found.Comment: 15 pages (Latex), 3 epsi figures, to appear in PhysRev B, 55 Nr. 20
(1997
Ab initio calculation of resonant X-ray scattering in Manganites
We study the origin of the resonant x-ray signal in manganites and generalize
the resonant cross-section to the band structure framework. With {\it ab
initio} LSDA and LSDA+U calculations we determine the resonant x-ray spectrum
of LaMnO. The calculated spectrum and azimuthal angle dependence at the Mn
-edge reproduce the measured data without adjustable parameters. The
intensity of this signal is directly related to the orthorhombicity of the
lattice. We also predict a resonant x-ray signal at the La -edge, caused by
the tilting of the MnO octahedra. This shows that the resonant x-ray signal
in the hard x-ray regime can be understood in terms of the band structure of a
material and is sensitive to the fine details of crystal structure.Comment: 4 pages, 4 figures, accepted for publication in Phys. Rev.
Electronic structure of rectangular quantum dots
We study the ground state properties of rectangular quantum dots by using the
spin-density-functional theory and quantum Monte Carlo methods. The dot
geometry is determined by an infinite hard-wall potential to enable comparison
to manufactured, rectangular-shaped quantum dots. We show that the electronic
structure is very sensitive to the deformation, and at realistic sizes the
non-interacting picture determines the general behavior. However, close to the
degenerate points where Hund's rule applies, we find spin-density-wave-like
solutions bracketing the partially polarized states. In the
quasi-one-dimensional limit we find permanent charge-density waves, and at a
sufficiently large deformation or low density, there are strongly localized
stable states with a broken spin-symmetry.Comment: 8 pages, 9 figures, submitted to PR
Formation and control of electron molecules in artificial atoms: Impurity and magnetic-field effects
Interelectron interactions and correlations in quantum dots can lead to
spontaneous symmetry breaking of the self-consistent mean field resulting in
formation of Wigner molecules. With the use of spin-and-space unrestricted
Hartree-Fock (sS-UHF) calculations, such symmetry breaking is discussed for
field-free conditions, as well as under the influence of an external magnetic
field. Using as paradigms impurity-doped (as well as the limiting case of
clean) two-electron quantum dots (which are analogs to helium-like atoms), it
is shown that the interplay between the interelectron repulsion and the
electronic zero-point kinetic energy leads, for a broad range of impurity
parameters, to formation of a singlet ground-state electron molecule,
reminiscent of the molecular picture of doubly-excited helium. Comparative
analysis of the conditional probability distributions for the sS-UHF and the
exact solutions for the ground state of two interacting electrons in a clean
parabolic quantum dot reveals that both of them describe formation of an
electron molecule with similar characteristics. The self-consistent field
associated with the triplet excited state of the two-electron quantum dot
(clean as well as impurity-doped) exhibits symmetry breaking of the Jahn-Teller
type, similar to that underlying formation of nonspherical open-shell nuclei
and metal clusters. Furthermore, impurity and/or magnetic-field effects can be
used to achieve controlled manipulation of the formation and pinning of the
discrete orientations of the Wigner molecules. Impurity effects are futher
illustrated for the case of a quantum dot with more than two electrons.Comment: Latex/Revtex, 10 pages with 4 gif figures. Small changes to explain
the difference between Wigner and Jahn-Teller electron molecules. A complete
version of the paper with high quality figures inside the text is available
at http://shale.physics.gatech.edu/~costas/qdhelium.html For related papers,
see http://www.prism.gatech.edu/~ph274c
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