632 research outputs found
Phase separation in the particle-hole asymmetric Hubbard model
The paramagnetic phase diagram of the Hubbard model with nearest-neighbor
(NN) and next-nearest-neighbor (NNN) hopping on the Bethe lattice is computed
at half-filling and in the weakly doped regime using the self-energy functional
approach for dynamical mean-field theory. NNN hopping breaks the particle-hole
symmetry and leads to a strong asymmetry of the electron-doped and hole-doped
regimes. Phase separation occurs at and near half-filling, and the critical
temperature of the Mott transition is strongly suppressed.Comment: 8 pages, 8 figure
Correlation and surface effects in Vanadium Oxides
Recent photoemission experiments have shown strong surface modifications in
the spectra from vanadium oxides as (V,Cr)_2O_3 or
(Sr,Ca)VO_3. The effective mass is enhanced at the surface and the coherent
part of the surface spectrum is narrowed as compared to the bulk. The
quasiparticle weight is more sensitive at the surface than in the bulk against
bandwidth variations. We investigate these effects theoretically considering
the single-band Hubbard model for a film geometry. A simplified dynamical
mean-field scheme is used to calculate the main features of the interacting
layer-dependent spectral function. It turns out that the experimentally
confirmed effects are inherent properties of a system of strongly correlated
electrons. The reduction of the weight and the variance of the coherent part of
the surface spectrum can be traced back to the reduced surface coordination
number. Surface correlation effects can be strongly amplified by changes of the
hopping integrals at the surface.Comment: to appear in PRB; 8 pages, 6 figure
Zero-temperature Phase Diagram of Two Dimensional Hubbard Model
We investigate the two-dimensional Hubbard model on the triangular lattice
with anisotropic hopping integrals at half filling. By means of a self-energy
functional approach, we discuss how stable the non-magnetic state is against
magnetically ordered states in the system. We present the zero-temperature
phase diagram, where the normal metallic state competes with magnetically
ordered states with and structures. It is shown
that a non-magnetic Mott insulating state is not realized as the ground state,
in the present framework, but as a meta-stable state near the magnetically
ordered phase with structure.Comment: 4 pages, 4 figure
Mott transition in one dimension: Benchmarking dynamical cluster approaches
The variational cluster approach (VCA) is applied to the one-dimensional
Hubbard model at zero temperature using clusters (chains) of up to ten sites
with full diagonalization and the Lanczos method as cluster solver. Within the
framework of the self-energy-functional theory (SFT), different cluster
reference systems with and without bath degrees of freedom, in different
topologies and with different sets of variational parameters are considered.
Static and one-particle dynamical quantities are calculated for half-filling as
a function of U as well as for fixed U as a function of the chemical potential
to study the interaction- and filling-dependent metal-insulator (Mott)
transition. The recently developed Q-matrix technique is used to compute the
SFT grand potential. For benchmarking purposes we compare the VCA results with
exact results available from the Bethe ansatz, with essentially exact dynamical
DMRG data, with (cellular) dynamical mean-field theory and full diagonalization
of isolated Hubbard chains. Several issues are discussed including convergence
of the results with cluster size, the ability of cluster approaches to access
the critical regime of the Mott transition, efficiency in the optimization of
correlated-site vs. bath-site parameters and of multi-dimensional parameter
optimization. We also study the role of bath sites for the description of
excitation properties and as charge reservoirs for the description of filling
dependencies. The VCA turns out to be a computationally cheap method which is
competitive with established cluster approaches.Comment: 19 pages, 19 figures, v3 with minor corrections, extended discussio
Surface metal-insulator transition in the Hubbard model
The correlation-driven metal-insulator (Mott) transition at a solid surface
is studied within the Hubbard model for a semi-infinite lattice by means of the
dynamical mean-field theory. The transition takes place at a unique critical
strength of the interaction. Depending on the surface geometry, the interaction
strength and the wave vector, we find one-electron excitations in the coherent
part of the surface-projected metallic spectrum which are confined to two
dimensions.Comment: LaTeX, 9 pages, 5 eps figures included, Phys. Rev. B (in press
Mott transitions in correlated electron systems with orbital degrees of freedom
Mott metal-insulator transitions in an M-fold orbitally degenerate Hubbard
model are studied by means of a generalization of the linearized dynamical
mean-field theory. The method allows for an efficient and reliable
determination of the critical interaction U_c for any integer filling n and
different M at zero temperature. For half-filling a linear dependence of U_c on
M is found. Inclusion of the (full) Hund's rule exchange J results in a strong
reduction of U_c. The transition turns out to change qualitatively from
continuous for J=0 to discontinuous for any finite J
Theory of Spin-Resolved Auger-Electron Spectroscopy from Ferromagnetic 3d-Transition Metals
CVV Auger electron spectra are calculated for a multi-band Hubbard model
including correlations among the valence electrons as well as correlations
between core and valence electrons. The interest is focused on the
ferromagnetic 3d-transition metals. The Auger line shape is calculated from a
three-particle Green function. A realistic one-particle input is taken from
tight-binding band-structure calculations. Within a diagrammatic approach we
can distinguish between the \textit{direct} correlations among those electrons
participating in the Auger process and the \textit{indirect} correlations in
the rest system. The indirect correlations are treated within second-order
perturbation theory for the self-energy. The direct correlations are treated
using the valence-valence ladder approximation and the first-order perturbation
theory with respect to valence-valence and core-valence interactions. The
theory is evaluated numerically for ferromagnetic Ni. We discuss the
spin-resolved quasi-particle band structure and the Auger spectra and
investigate the influence of the core hole.Comment: LaTeX, 12 pages, 8 eps figures included, Phys. Rev. B (in press
Variational Cluster Perturbation Theory for Bose-Hubbard models
We discuss the application of the variational cluster perturbation theory
(VCPT) to the Mott-insulator--to--superfluid transition in the Bose-Hubbard
model. We show how the VCPT can be formulated in such a way that it gives a
translation invariant excitation spectrum -- free of spurious gaps -- despite
the fact that if formally breaks translation invariance. The phase diagram and
the single-particle Green function in the insulating phase are obtained for
one-dimensional systems. When the chemical potential of the cluster is taken as
a variational parameter, the VCPT reproduces the dimension dependence of the
phase diagram even for one-site clusters. We find a good quantitative agreement
with the results of the density-matrix renormalization group when the number of
sites in the cluster becomes of order 10. The extension of the method to the
superfluid phase is discussed.Comment: v1) 10 pages, 6 figures. v2) Final version as publishe
Spin-spin correlations in ferromagnetic nanosystems
Using exact diagonalization, Monte-Carlo, and mean-field techniques,
characteristic temperature scales for ferromagnetic order are discussed for the
Ising and the classical anisotropic Heisenberg model on finite lattices in one
and two dimensions. The interplay between nearest-neighbor exchange, anisotropy
and the presence of surfaces leads, as a function of temperature, to a complex
behavior of the distance-dependent spin-spin correlation function, which is
very different from what is commonly expected. A finite experimental
observation time is considered in addition, which is simulated within the
Monte-Carlo approach by an incomplete statistical average. We find strong
surface effects for small nanoparticles, which cannot be explained within a
simple Landau or mean-field concept and which give rise to characteristic
trends of the spin-correlation function in different temperature regimes.
Unambiguous definitions of crossover temperatures for finite systems and an
effective method to estimate the critical temperature of corresponding infinite
systems are given.Comment: 7 pages, 5 figures, EPJB (in press
Pericardial effusion of HIV-infected patients - results of a prospective multicenter cohort study in the era of antiretroviral therapy
<p>Abstract</p> <p>Background</p> <p>Patients with human immunodeficiency virus (HIV) infection have an increased risk of cardiovascular diseases. Previous publications described pericardial effusion as one of the most common HlV-associated cardiac affiliations. The aim of the current study was to investigate if pericardial effusion still has a relevant meaning of HIV-infected patients in the era of antiretroviral therapy.</p> <p>Methods</p> <p>The HIV-HEART (HIV-infection and HEART disease) study is a cardiology driven, prospective and multicenter cohort study. Outpatients with a known HIV-infection were recruited during a 20 month period in a consecutive manner from September 2004 to May 2006. The study comprehends classic parameters of HIV-infection, comprising CD4-cell count (cluster of differentiation) and virus load, as well as non-invasive tests of cardiac diseases, including a thorough transthoracic echocardiography.</p> <p>Results</p> <p>802 HIV-infected patients (female: 16.6%) with a mean age of 44.2 ± 10.3 years, were included. Duration of HIV-infection since initial diagnosis was 7.6 ± 5.8 years. Of all participants, 85.2% received antiretroviral therapy. Virus load was detectable in 34.4% and CD4 - cell count was in 12.4% less than 200 cells/μL. Pericardial effusions were present in only two patients of the analysed population. None of the participants had signs of a relevant cardiovascular impairment by pericardial effusion.</p> <p>Conclusions</p> <p>Our results demonstrate that the era of antiretroviral therapy goes along with low rates of pericardial effusions in HIV-infected outpatients. Our findings are in contrast to the results of publications, performed before the common use of antiretroviral therapy.</p
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