27 research outputs found
Optical Conductivity in Mott-Hubbard Systems
We study the transfer of spectral weight in the optical spectra of a strongly
correlated electron system as a function of temperature and interaction
strength. Within a dynamical mean field theory of the Hubbard model that
becomes exact in the limit of large lattice coordination, we predict an
anomalous enhancement of spectral weight as a function of temperature in the
correlated metallic state and report on experimental measurements which agree
with this prediction in . We argue that the optical conductivity
anomalies in the metal are connected to the proximity to a crossover region in
the phase diagram of the model.Comment: 12 pages and 4 figures, to appear in Phys. Rev. Lett., v 75, p 105
(1995
CDW, Superconductivity and Anomalous Metallic Behavior in 2D Transition Metal Dichalcogenides
We propose a theory for quasi-two-dimensional transition metal
dichalcogenides that provides a unified microscopic picture of the charge
density wave (CDW) and superconducting phases. We show, based on the
electron-phonon coupling and Fermi surface topology, that a CDW order parameter
with six-fold symmetry and nodes (f-wave) gives a consistent description of the
available experimental data. The elementary excitations in the CDW phase are
Dirac electrons. The superconducting state has its origin on the attractive
interaction mediated by phonons. The theory predicts strong deviations from
Fermi liquid theory in the CDW phase.Comment: 4 pages, 3 figure
Transfer of Spectral Weight in Spectroscopies of Correlated Electron Systems
We study the transfer of spectral weight in the photoemission and optical
spectra of strongly correlated electron systems. Within the LISA, that becomes
exact in the limit of large lattice coordination, we consider and compare two
models of correlated electrons, the Hubbard model and the periodic Anderson
model. The results are discussed in regard of recent experiments. In the
Hubbard model, we predict an anomalous enhancement optical spectral weight as a
function of temperature in the correlated metallic state which is in
qualitative agreement with optical measurements in . We argue that
anomalies observed in the spectroscopy of the metal are connected to the
proximity to a crossover region in the phase diagram of the model. In the
insulating phase, we obtain an excellent agreement with the experimental data
and present a detailed discussion on the role of magnetic frustration by
studying the resolved single particle spectra. The results for the periodic
Anderson model are discussed in connection to recent experimental data of the
Kondo insulators and . The model can successfully explain
the different energy scales that are associated to the thermal filling of the
optical gap, which we also relate to corresponding changes in the density of
states. The temperature dependence of the optical sum rule is obtained and its
relevance for the interpretation of the experimental data discussed. Finally,
we argue that the large scattering rate measured in Kondo insulators cannot be
described by the periodic Anderson model.Comment: 19 pages + 29 figures. Submitted to PR
Orbital state and magnetic properties of LiV_2 O_4
LiV_2 O_4 is one of the most puzzling compounds among transition metal oxides
because of its heavy fermion like behavior at low temperatures. In this paper
we present results for the orbital state and magnetic properties of LiV_2 O_4
obtained from a combination of density functional theory within the local
density approximation and dynamical mean-field theory (DMFT). The DMFT
equations are solved by quantum Monte Carlo simulations. The trigonal crystal
field splits the V 3d orbitals such that the a_{1g} and e_{g}^{pi} orbitals
cross the Fermi level, with the former being slightly lower in energy and
narrower in bandwidth. In this situation, the d-d Coulomb interaction leads to
an almost localization of one electron per V ion in the a_{1g} orbital, while
the e_{g}^{pi} orbitals form relatively broad bands with 1/8 filling. 2The
theoretical high-temperature paramagnetic susceptibility chi(T) follows a
Curie-Weiss law with an effective paramagnetic moment p_{eff}=1.65 in agreement
with the experimental results.Comment: 11 pages, 10 figures, 2 table
The periodic Anderson model from the atomic limit and FeSi
The exact Green's functions of the periodic Anderson model for
are formally expressed within the cumulant expansion in terms of an effective
cumulant. Here we resort to a calculation in which this quantity is
approximated by the value it takes for the exactly soluble atomic limit of the
same model. In the Kondo region a spectral density is obtained that shows near
the Fermi surface a structure with the properties of the Kondo peak.
Approximate expressions are obtained for the static conductivity
and magnetic susceptibility of the PAM, and they are employed to fit
the experimental values of FeSi, a compound that behaves like a Kondo insulator
with both quantities vanishing rapidly for . Assuming that the system
is in the intermediate valence region, it was possible to find good agreement
between theory and experiment for these two properties by employing the same
set of parameters. It is shown that in the present model the hybridization is
responsible for the relaxation mechanism of the conduction electrons.Comment: 26 pages and 8 figure
On the crystallization of thin films composed of Sb3.6Te with Ge for rewritable data storage
Electronic Structure Calculation by First Principles for Strongly Correlated Electron Systems
Recent trends of ab initio studies and progress in methodologies for
electronic structure calculations of strongly correlated electron systems are
discussed. The interest for developing efficient methods is motivated by recent
discoveries and characterizations of strongly correlated electron materials and
by requirements for understanding mechanisms of intriguing phenomena beyond a
single-particle picture. A three-stage scheme is developed as renormalized
multi-scale solvers (RMS) utilizing the hierarchical electronic structure in
the energy space. It provides us with an ab initio downfolding of the global
band structure into low-energy effective models followed by low-energy solvers
for the models. The RMS method is illustrated with examples of several
materials. In particular, we overview cases such as dynamics of semiconductors,
transition metals and its compounds including iron-based superconductors and
perovskite oxides, as well as organic conductors of kappa-ET type.Comment: 44 pages including 38 figures, to appear in J. Phys. Soc. Jpn. as an
invited review pape
On the crystallization of thin films composed of Sb3.6Te with Ge for rewritable data storage
This article addresses the crystallization of amorphous Sb3.6Te films (40 nm thick) and 5 at.% Ge containing Sb3.6Te films (10, 20, and 40 nm thick) as studied with transmission electron microcopy using in situ annealing. These materials exhibit growth-dominated crystallization, in contrast to the usual Ge2Sb2Te5 that shows nucleation-dominated crystallization. Particularly the crystal-growth velocity in these systems has been measured as a function of temperature from which the activation energy for growth can be derived. The strong effect of the 5 at.% Ge addition on the total crystallization behavior is revealed by the following four phenomena: Ge increases the crystallization temperature (from 95 to 150 °C), increases the activation energy for growth (from 1.58 to 2.37 eV), increases the nucleation rate and decreases the growth anisotropy. The crystallites have a special transrotational structure and a mechanism responsible for the development of this special structure is delineated.