109 research outputs found
Single Impurity Anderson Model with Coulomb Repulsion between Conduction Electrons on the Nearest-Neighbour Ligand Orbital
We study how the Kondo effect is affected by the Coulomb interaction between
conduction electrons on the basis of a simplified model. The single impurity
Anderson model is extended to include the Coulomb interaction on the
nearest-neighbour ligand orbital. The excitation spectra are calculated using
the numerical renormalization group method. The effective bandwidth on the
ligand orbital, , is defined to classify the state. This quantity
decreases as the Coulomb interaction increases. In the
region, the low energy properties are described by the Kondo state, where
is the hybridization width. As decreases in this region, the
Kondo temperature is enhanced, and its magnitude becomes comparable to
for . In the region, the local
singlet state between the electrons on the and ligand orbitals is formed.Comment: 5 pages, 3 figures, LaTeX, to be published in J. Phys. Soc. Jpn Vol.
67 No.
Hidden Symmetries and their Consequences in Cubic Perovskites
The five-band Hubbard model for a band with one electron per site is a
model which has very interesting properties when the relevant ions are located
at sites with high (e. g. cubic) symmetry. In that case, if the crystal field
splitting is large one may consider excitations confined to the lowest
threefold degenerate orbital states. When the electron hopping matrix
element () is much smaller than the on-site Coulomb interaction energy
(), the Hubbard model can be mapped onto the well-known effective
Hamiltonian (at order ) derived by Kugel and Khomskii (KK). Recently
we have shown that the KK Hamiltonian does not support long range spin order at
any nonzero temperature due to several novel hidden symmetries that it
possesses. Here we extend our theory to show that these symmetries also apply
to the underlying three-band Hubbard model. Using these symmetries we develop a
rigorous Mermin-Wagner construction, which shows that the three-band Hubbard
model does not support spontaneous long-range spin order at any nonzero
temperature and at any order in -- despite the three-dimensional lattice
structure. Introduction of spin-orbit coupling does allow spin ordering, but
even then the excitation spectrum is gapless due to a subtle continuous
symmetry. Finally we showed that these hidden symmetries dramatically simplify
the numerical exact diagonalization studies of finite clusters.Comment: 26 pages, 3 figures, 520 KB, submitted Phys. Rev.
Landau Expansion for the Kugel-Khomskii Hamiltonian
The Kugel-Khomskii (KK) Hamiltonian for the titanates describes spin and
orbital superexchange interactions between ions in an ideal perovskite
structure in which the three orbitals are degenerate in energy and
electron hopping is constrained by cubic site symmetry. In this paper we
implement a variational approach to mean-field theory in which each site, ,
has its own single-site density matrix \rhov(i), where , the
number of allowed single-particle states, is 6 (3 orbital times 2 spin states).
The variational free energy from this 35 parameter density matrix is shown to
exhibit the unusual symmetries noted previously which lead to a
wavevector-dependent susceptibility for spins in orbitals which is
dispersionless in the -direction. Thus, for the cubic KK model
itself, mean-field theory does not provide wavevector `selection', in agreement
with rigorous symmetry arguments. We consider the effect of including various
perturbations. When spin-orbit interactions are introduced, the susceptibility
has dispersion in all directions in -space, but the resulting
antiferromagnetic mean-field state is degenerate with respect to global
rotation of the staggered spin, implying that the spin-wave spectrum is
gapless. This possibly surprising conclusion is also consistent with rigorous
symmetry arguments. When next-nearest-neighbor hopping is included, staggered
moments of all orbitals appear, but the sum of these moments is zero, yielding
an exotic state with long-range order without long-range spin order. The effect
of a Hund's rule coupling of sufficient strength is to produce a state with
orbital order.Comment: 20 pages, 5 figures, submitted to Phys. Rev. B (2003
Novel phase diagram of superconductor NaxCoO2-yH2O in a 75 % relative humidity
We succeeded in synthesizing the powder samples of bilayer-hydrate sodium
cobalt oxide superconductors NaxCoO2-yH2O with Tc = 0 ~ 4.6 K by systematically
changing the keeping duration in a 75 % relative humidity atmosphere after
intercalation of water molecules. From the magnetic measurements, we found that
the one-day duration sample does not show any superconductivity down to 1.8 K,
and that the samples kept for 2 ~ 7 days show superconductivity, in which Tc
increases up to 4.6 K with increasing the duration. Tc and the superconducting
volume fraction are almost invariant between 7 days and 1month duration. The
59Co NQR spectra indicate a systematic change in the local charge distribution
on the CoO2 plane with change in duration.Comment: 4 pages, 5 figures, submitted to Journal of the Physical Society of
Japa
Magnetic impurity coupled to interacting conduction electrons
We consider a magnetic impurity which interacts by hybridization with a
system of weakly correlated electrons and determine the energy of the ground
state by means of an 1/N_f expansion. The correlations among the conduction
electrons are described by a Hubbard Hamiltonian and are treated to lowest
order in the interaction strength. We find that their effect on the Kondo
temperature, T_K, in the Kondo limit is twofold: First, the position of the
impurity level is shifted due to the reduction of charge fluctuations, which
reduces T_K. Secondly, the bare Kondo exchange coupling is enhanced as spin
fluctuations are enlarged. In total, T_K increases. Both corrections require
intermediate states beyond the standard Varma-Yafet ansatz. This shows that the
Hubbard interaction does not just provide quasiparticles, which hybridize with
the impurity, but also renormalizes the Kondo coupling.Comment: ReVTeX 19 pages, 3 uuenconded postscript figure
Theory of the density fluctuation spectrum of strongly correlated electrons
The density response function of the two-dimensional
model is studied starting from a mixed gauge formulation of the slave boson
approach. Our results for are in remarkable agreement with exact
diagonalization studies, and provide a natural explanation of the anomalous
features in the density response in terms of the spin polaron nature of the
charge carriers. In particular we have identified unexplained low energy
structures in the diagonalization data as arising from the coherent polaron
motion of holes in a spin liquid.Comment: 4 pages with 4 figures, to be published in Physical Review B (RC
Magnetic Impurity in a Metal with Correlated Conduction Electrons: An Infinite Dimensions Approach
We consider the Hubbard model with a magnetic Anderson impurity coupled to a
lattice site. In the case of infinite dimensions, one-particle correlations of
the impurity electron are described by the effective Hamiltonian of the
two-impurity system. One of the impurities interacts with a bath of free
electrons and represents the Hubbard lattice, and the other is coupled to the
first impurity by the bare hybridization interaction. A study of the effective
two-impurity Hamiltonian in the frame of the 1/N expansion and for the case of
a weak conduction-electron interaction (small U) reveals an enhancement of the
usual exponential Kondo scale. However, an intermediate interaction (U/D = 1 -
3), treated by the variational principle, leads to the loss of the exponential
scale. The Kondo temperature T_K of the effective two-impurity system is
calculated as a function of the hybridization parameter and it is shown that
T_K decreases with an increase of U. The non-Fermi-liquid character of the
Kondo effect in the intermediate regime at the half filling is discussed.Comment: 12 pages with 8 PS figures, RevTe
Kondo Effect in a Metal with Correlated Conduction Electrons: Diagrammatic Approach
We study the low-temperature behavior of a magnetic impurity which is weakly
coupled to correlated conduction electrons. To account for conduction electron
interactions a diagrammatic approach in the frame of the 1/N expansion is
developed. The method allows us to study various consequences of the conduction
electron correlations for the ground state and the low-energy excitations. We
analyse the characteristic energy scale in the limit of weak conduction
electron interactions. Results are reported for static properties (impurity
valence, charge susceptibility, magnetic susceptibility, and specific heat) in
the low-temperature limit.Comment: 16 pages, 9 figure
Stability of a metallic state in the two-orbital Hubbard model
Electron correlations in the two-orbital Hubbard model at half-filling are
investigated by combining dynamical mean field theory with the exact
diagonalization method. We systematically study how the interplay of the intra-
and inter-band Coulomb interactions, together with the Hund coupling, affects
the metal-insulator transition. It is found that if the intra- and inter-band
Coulomb interactions are nearly equal, the Fermi-liquid state is stabilized due
to orbital fluctuations up to fairly large interactions, while the system is
immediately driven to the Mott insulating phase away from this condition. The
effects of the isotropic and anisotropic Hund coupling are also addressed.Comment: 7 pages, 9 figure
Optical study of orbital excitations in transition-metal oxides
The orbital excitations of a series of transition-metal compounds are studied
by means of optical spectroscopy. Our aim was to identify signatures of
collective orbital excitations by comparison with experimental and theoretical
results for predominantly local crystal-field excitations. To this end, we have
studied TiOCl, RTiO3 (R=La, Sm, Y), LaMnO3, Y2BaNiO5, CaCu2O3, and K4Cu4OCl10,
ranging from early to late transition-metal ions, from t_2g to e_g systems, and
including systems in which the exchange coupling is predominantly
three-dimensional, one-dimensional or zero-dimensional. With the exception of
LaMnO3, we find orbital excitations in all compounds. We discuss the
competition between orbital fluctuations (for dominant exchange coupling) and
crystal-field splitting (for dominant coupling to the lattice). Comparison of
our experimental results with configuration-interaction cluster calculations in
general yield good agreement, demonstrating that the coupling to the lattice is
important for a quantitative description of the orbital excitations in these
compounds. However, detailed theoretical predictions for the contribution of
collective orbital modes to the optical conductivity (e.g., the line shape or
the polarization dependence) are required to decide on a possible contribution
of orbital fluctuations at low energies, in particular in case of the orbital
excitations at about 0.25 eV in RTiO3. Further calculations are called for
which take into account the exchange interactions between the orbitals and the
coupling to the lattice on an equal footing.Comment: published version, discussion of TiOCl extended to low T, improved
calculation of orbital excitation energies in TiOCl, figure 16 improved,
references updated, 33 pages, 20 figure
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