1,704 research outputs found
Hilbert's 16th Problem for Quadratic Systems. New Methods Based on a Transformation to the Lienard Equation
Fractionally-quadratic transformations which reduce any two-dimensional
quadratic system to the special Lienard equation are introduced. Existence
criteria of cycles are obtained
Metal-Insulator Transition and Lattice Instability of Paramagnetic V2O3
We determine the electronic structure and phase stability of paramagnetic
VO at the Mott-Hubbard metal-insulator phase transition, by employing a
combination of an ab initio method for calculating band structures with
dynamical mean-field theory. The structural transformation associated with the
metal-insulator transition is found to occur upon a slight expansion of the
lattice volume by %, in agreement with experiment. Our results show
that the structural change precedes the metal-insulator transition, implying a
complex interplay between electronic and lattice degrees of freedom at the
transition. Electronic correlations and full charge self-consistency are found
to be crucial for a correct description of the properties of VO.Comment: 5 pages, 4 figure
Transient currents in a molecular photo-diode
Light-induced charge transmission through a molecular junction (molecular
diode) is studied in the framework of a HOMO-LUMO model and in using a kinetic
description. Expressions are presented for the sequential (hopping) and direct
(tunneling) transient current components together with kinetic equations
governing the time-dependent populations of the neutral and charged molecular
states which participate in the current formation. Resonant and off-resonant
charge transmission processes are analyzed in detail. It is demonstrated that
the transient currents are associated with a molecular charging process which
is initiated by photo excitation of the molecule. If the coupling of the
molecule to the electrodes is strongly asymmetric the transient currents can
significantly exceed the steady state current.Comment: 17 pages, 12 figures, accepted for publication in Chemical Physic
Electronic structure of charge-ordered Fe3O4 from calculated optical, megneto-optical Kerr effect, and O K-edge x-ray absorption spectra
The electronic structure of the low-temperature (LT) monoclinic magnetite,
Fe3O4, is investigated using the local spin density approximation (LSDA) and
the LSDA+U method. The self-consistent charge ordered LSDA+U solution has a
pronounced [001] charge density wave character. In addition, a minor [00{1/2}]
modulation in the phase of the charge order (CO) also occurs. While the
existence of CO is evidenced by the large difference between the occupancies of
the minority spin t_{2g} states of ``2+'' and ``3+'' Fe_B cations, the total 3d
charge disproportion is small, in accord with the valence-bond-sum analysis of
structural data. Weak Fe orbital moments of ~0.07 mB are obtained from
relativistic calculations for the CO phase which is in good agreement with
recent x-ray magnetic circular dichroism measurements. Optical, magneto-optical
Kerr effect, and O K-edge x-ray absorption spectra calculated for the charge
ordered LSDA+U solution are compared to corresponding LSDA spectra and to
available experimental data. Reasonably good agreement between the theoretical
and experimental spectra supports the relevance of the CO solution obtained for
the monoclinic LT phase. The results of calculations of effective exchange
coupling constants between Fe spin magnetic moments are also presented.Comment: 32 pages, 10 figure
- …