1,686 research outputs found
Off-diagonal Interactions, Hund's Rules and Pair-binding in Hubbard Molecules
We have studied the effect of including nearest-neighbor, electron-electron
interactions, in particular the off-diagonal (non density-density) terms, on
the spectra of truncated tetrahedral and icosahedral ``Hubbard molecules,''
focusing on the relevance of these systems to the physics of doped C.
Our perturbation theoretic and exact diagonalization results agree with
previous work in that the density-density term suppresses pair-binding.
However, we find that for the parameter values of interest for the
off-diagonal terms {\em enhance} pair-binding, though not enough to offset the
suppression due to the density-density term. We also find that the critical
interaction strengths for the Hund's rules violating level crossings in
C, C and C are quite insensitive to the
inclusion of these additional interactions.Comment: 20p + 5figs, Revtex 3.0, UIUC preprint P-94-10-08
Raman Scattering and Anomalous Current Algebra: Observation of Chiral Bound State in Mott Insulators
Recent experiments on inelastic light scattering in a number of insulating
cuprates [1] revealed a new excitation appearing in the case of crossed
polarizations just below the optical absorption threshold. This observation
suggests that there exists a local exciton-like state with an odd parity with
respect to a spatial reflection. We present the theory of high energy large
shift Raman scattering in Mott insulators and interpret the experiment [1] as
an evidence of a chiral bound state of a hole and a doubly occupied site with a
topological magnetic excitation. A formation of these composites is a crucial
feature of various topological mechanisms of superconductivity. We show that
inelastic light scattering provides an instrument for direct measurements of a
local chirality and anomalous terms in the electronic current algebra.Comment: 18 pages, TeX, C Version 3.
Dimerization structures on the metallic and semiconducting fullerene tubules with half-filled electrons
Possible dimerization patterns and electronic structures in fullerene tubules
as the one-dimensional pi-conjugated systems are studied with the extended
Su-Schrieffer-Heeger model. We assume various lattice geometries, including
helical and nonhelical tubules. The model is solved for the half-filling case
of -electrons. (1) When the undimerized systems do not have a gap, the
Kekule structures prone to occur. The energy gap is of the order of the room
temperatures at most and metallic properties would be expected. (2) If the
undimerized systems have a large gap (about 1eV), the most stable structures
are the chain-like distortions where the direction of the arranged
trans-polyacetylene chains is along almost the tubular axis. The electronic
structures are ofsemiconductors due to the large gap.Comment: submitted to Phys. Rev. B, pages 15, figures 1
Dynamics of Neural Networks with Continuous Attractors
We investigate the dynamics of continuous attractor neural networks (CANNs).
Due to the translational invariance of their neuronal interactions, CANNs can
hold a continuous family of stationary states. We systematically explore how
their neutral stability facilitates the tracking performance of a CANN, which
is believed to have wide applications in brain functions. We develop a
perturbative approach that utilizes the dominant movement of the network
stationary states in the state space. We quantify the distortions of the bump
shape during tracking, and study their effects on the tracking performance.
Results are obtained on the maximum speed for a moving stimulus to be
trackable, and the reaction time to catch up an abrupt change in stimulus.Comment: 6 pages, 7 figures with 4 caption
Mott-Peierls Transition in the extended Peierls-Hubbard model
The one-dimensional extended Peierls-Hubbard model is studied at several band
fillings using the density matrix renormalization group method. Results show
that the ground state evolves from a Mott-Peierls insulator with a correlation
gap at half-filling to a soliton lattice with a small band gap away from
half-filling. It is also confirmed that the ground state of the Peierls-Hubbard
model undergoes a transition to a metallic state at finite doping. These
results show that electronic correlations effects should be taken into account
in theoretical studies of doped polyacetylene. They also show that a
Mott-Peierls theory could explain the insulator-metal transition observed in
this material.Comment: 4 pages with 3 embedded eps figure
Re-integerization of fractional charges in the correlated quarter-filled band
Previous work has demonstrated the existence of soliton defect states with
charges +/- e/2 in the limits of zero and of infinite on-site Coulomb
interactions in the one-dimensional (1D) quarter-filled band. For large but
finite on-site Coulomb interaction, the low temperature 2k_F bond distortion
that occurs within the 4k_F bond-distorted phase is accompanied by
charge-ordering on the sites. We show that a ``re-integerization'' of the
defect charge occurs in this bond-charge density wave (BCDW) state due to a
``binding'' of the fractional charges. We indicate briefly possible
implications of this result for mechanisms of organic superconductivity.Comment: 4 eps figure
Polarons as Nucleation Droplets in Non-Degenerate Polymers
We present a study of the nucleation mechanism that allows the decay of the
metastable phase (trans-cisoid) to the stable phase
(cis-transoid) in quasi one-dimensional non-degenerate polymers within the
continuum electron-phonon model. The electron-phonon configurations that lead
to the decay, i.e. the critical droplets (or transition state), are identified
as polarons of the metastable phase. We obtain an estimate for the decay rate
via thermal activation within a range of parameters consistent with
experimental values for the gap of the cis-configuration. It is pointed out
that, upon doping, the activation barriers of the excited states are quite
smaller and the decay rate is greatly enhanced. Typical activation energies for
electron or hole polarons are eV and the typical size for a
critical droplet (polaron) is about . Decay via quantum nucleation is
also studied and it is found that the crossover temperature between quantum
nucleation and thermal activation is of order . Metastable
configurations of non-degenerate polymers may provide examples for mesoscopic
quantum tunneling.Comment: REVTEX 3.0, 28 PAGES, 3 FIGURES AVAILABLE UPON REQUEST, PITT 94-0
Lattice distortion and energy level structures in doped C_{60} and C_{70} studied with the extended Su-Schrieffer-Heeger model: Polaron excitations and optical absorption
We extend the Su-Schrieffer-Heeger model of polyacetylene to C_{60} and
C_{70} molecules, and solve numerically. The calculations of the undoped
systems agree well with the known results. When the system (C_{60} or C_{70})
is doped with one or two electrons (or holes), the additional charges
accumulate almost along an equatorial line of the molecule. The dimerization
becomes weaker almost along the same line. Two energy levels intrude largely in
the gap. The intrusion is larger in C_{70} than in C_{60}. Therefore,
``polarons'' are predicted in doped buckminster- fullerenes. We calculate
optical absorption coefficient for C_{60} in order to look at how ``polarons''
will be observed. It is predicted that there appears a new peak at the lower
energy than the intergap transition peaks. It is also found that C_{60} and
C_{70} are related mutually with respect to electronical structures as well as
lattice geometries. (to be published in Phys. Rev. B 45, June 15 issue)Comment: 21 page
Accounting for both electron--lattice and electron--electron coupling in conjugated polymers: minimum total energy calculations on the Hubbard--Peierls hamiltonian
Minimum total energy calculations, which account for both electron--lattice
and electron--electron interactions in conjugated polymers are performed for
chains with up to eight carbon atoms. These calculations are motivated in part
by recent experimental results on the spectroscopy of polyenes and conjugated
polymers and shed light on the longstanding question of the relative importance
of electron--lattice vs. electron--electron interactions in determining the
properties of these systems.Comment: 6 pages, Plain TeX, FRL-PSD-93GR
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