1,403 research outputs found
On the correct continuum limit of the functional-integral representation for the four-slave-boson approach to the Hubbard model: Paramagnetic phase
The Hubbard model with finite on-site repulsion U is studied via the
functional-integral formulation of the four-slave-boson approach by Kotliar and
Ruckenstein. It is shown that a correct treatment of the continuum imaginary
time limit (which is required by the very definition of the functional
integral) modifies the free energy when fluctuation (1/N) corrections beyond
mean-field are considered. Our analysis requires us to suitably interpret the
Kotliar and Ruckenstein choice for the bosonic hopping operator and to abandon
the commonly used normal-ordering prescription, in order to obtain meaningful
fluctuation corrections. In this way we recover the exact solution at U=0 not
only at the mean-field level but also at the next order in 1/N. In addition, we
consider alternative choices for the bosonic hopping operator and test them
numerically for a simple two-site model for which the exact solution is readily
available for any U. We also discuss how the 1/N expansion can be formally
generalized to the four-slave-boson approach, and provide a simplified
prescription to obtain the additional terms in the free energy which result at
the order 1/N from the correct continuum limit.Comment: Changes: Printing problems (due to non-standard macros) have been
removed, 44 page
Rare-earth impurities in CoMnSi: an opportunity to improve Half-Metallicity at finite temperatures
We analyse the effects of doping Holmium impurities into the full-Heusler
ferromagnetic alloy CoMnSi. Experimental results, as well as theoretical
calculations within Density Functional Theory in the "Local Density
Approximation plus Hubbard U" framework show that the holmium moment is aligned
antiparallely to that of the transition metal atoms. According to the
electronic structure calculations, substituting Ho on Co sites introduces a
finite density of states in the minority spin gap, while substitution on the Mn
sites preserves the half-metallic character.Comment: 22 pages, 8 figures. published in PR
Clustering of Lyman-alpha Emitters Around Quasars at
The strong observed clustering of quasars indicates they are hosted
by massive () dark matter
halos. Assuming quasars and galaxies trace the same large-scale structures,
this should also manifest as strong clustering of galaxies around quasars.
Previous work on high-redshift quasar environments, mostly focused at ,
have failed to find convincing evidence for these overdensities. Here we
conduct a survey for Lyman alpha emitters (LAEs) in the environs of 17 quasars
at probing scales of . We measure an
average LAE overdensity around quasars of 1.4 for our full sample, which we
quantify by fitting the quasar-LAE cross-correlation function. We find
consistency with a power-law shape with correlation length of
for a fixed slope of
. We also measure the LAE auto-correlation length and find
\,cMpc (), which is
times higher than the value measured in blank fields. Taken together our
results clearly indicate that LAEs are significantly clustered around
quasars. We compare the observed clustering with the expectation from a
deterministic bias model, whereby LAEs and quasars probe the same underlying
dark matter overdensities, and find that our measurements fall short of the
predicted overdensities by a factor of 2.1. We discuss possible explanations
for this discrepancy including large-scale quenching or the presence of excess
dust in galaxies near quasars. Finally, the large cosmic variance from
field-to-field observed in our sample (10/17 fields are actually underdense)
cautions one from over-interpreting studies of quasar environments
based on a single or handful of quasar fields.Comment: 19 pages, 12 figures, submitted to the Ap
Extended self-energy functional approach for strongly-correlated lattice bosons in the superfluid phase
Among the various numerical techniques to study the physics of strongly
correlated quantum many-body systems, the self-energy functional approach (SFA)
has become increasingly important. In its previous form, however, SFA is not
applicable to Bose-Einstein condensation or superfluidity. In this paper we
show how to overcome this shortcoming. To this end we identify an appropriate
quantity, which we term , that represents the correlation correction of the
condensate order parameter, as it does the self-energy for the Green's
function. An appropriate functional is derived, which is stationary at the
exact physical realizations of and of the self-energy. Its derivation is
based on a functional-integral representation of the grand potential followed
by an appropriate sequence of Legendre transformations. The approach is not
perturbative and therefore applicable to a wide range of models with local
interactions. We show that the variational cluster approach based on the
extended self-energy functional is equivalent to the "pseudoparticle" approach
introduced in Phys. Rev. B, 83, 134507 (2011). We present results for the
superfluid density in the two-dimensional Bose-Hubbard model, which show a
remarkable agreement with those of Quantum-Monte-Carlo calculations.Comment: 1 additional figure showing the region close to the tip of the Mott
lobe, minor changes in the tex
Renormalized SO(5) symmetry in ladders with next-nearest-neighbor hopping
We study the occurrence of SO(5) symmetry in the low-energy sector of
two-chain Hubbard-like systems by analyzing the flow of the running couplings
(-ology) under renormalization group in the weak-interaction limit. It is
shown that SO(5) is asymptotically restored for low energies for rather general
parameters of the bare Hamiltonian. This holds also with inclusion of a
next-nearest-neighbor hopping which explicitly breaks particle-hole symmetry
provided one accounts for a different single-particle weight for the
quasiparticles of the two bands of the system. The physical significance of
this renormalized SO(5) symmetry is discussed.Comment: Final version: to appear in Phys. Rev. Lett., sched. Mar. 9
Variational cluster approach to the Hubbard model: Phase-separation tendency and finite-size effects
Using the variational cluster approach (VCA), we study the transition from
the antiferromagnetic to the superconducting phase of the two-dimensional
Hubbard model at zero temperature. Our calculations are based on a new method
to evaluate the VCA grand potential which employs a modified Lanczos algorithm
and avoids integrations over the real or imaginary frequency axis. Thereby,
very accurate results are possible for cluster sizes not accessible to full
diagonalization. This is important for an improved treatment of short-range
correlations, including correlations between Cooper pairs in particular. We
investigate the cluster-size dependence of the phase-separation tendency that
has been proposed recently on the basis of calculations for smaller clusters.
It is shown that the energy barrier driving the phase separation decreases with
increasing cluster size. This supports the conjecture that the ground state
exhibits microscopic inhomogeneities rather than macroscopic phase separation.
The evolution of the single-particle spectum as a function of doping is studied
in addtion and the relevance of our results for experimental findings is
pointed out.Comment: 7 pages, 6 figures, published versio
Titanium Nitride - a correlated metal at the threshold of a Mott transition
We investigate electron correlation effects in stoichiometric Titanium
Nitride (TiN) using a combination of electronic structure and many-body
calculations. In a first step, the Nth-order muffin tin orbital technique is
used to obtain parameters for the low-energy Hamiltonian in the Ti-d(t2g)-band
manifold. The Coulomb-interaction U and the Hund's rule exchange parameter J
are estimated using a constrained Local-Density-Approximation calculation.
Finally, the many-body problem is solved within the framework of the
Variational Cluster Approach. Comparison of our calculations with different
spectroscopy results stresses the importance of electronic correlation in this
material. In particular, our results naturally explain a suppression of the TiN
density of states at the Fermi level (pseudogap) in terms of the proximity to a
Mott metal-insulator transition.Comment: 9 pages, submitted to PR
Half-Metallic Ferromagnetism and the spin polarization in CrO
We present electronic structure calculations in combination with local and
non-local many-body correlation effects for the half-metallic ferromagnet
CrO. Finite-temperature Dynamical Mean Field Theory results show the
existence of non-quasiparticle states, which were recently observed as almost
currentless minority spin states near the Fermi energy in resonant scattering
experients. At zero temperatures, Variational Cluster Approach calculations
support the half-metallic nature of CrO as seen in superconducting point
contact spectroscopy. The combination of these two techniques allowed us to
qualitatively describe the spin-polarization in CrO.Comment: 5 pages, 3 figure
Excitation spectrum in two-dimensional superfluid ⁴He
In this work we perform an ab-initio study of an ideal two-dimensional sample of
⁴He atoms, a model for
⁴He
films adsorbed on several kinds of substrates. Starting from a realistic hamiltonian we face the microscopic study
of the excitation phonon–roton spectrum of the system at zero temperature. Our approach relies on path integral
ground state Monte Carlo projection methods, allowing to evaluate exactly the dynamical density correlation
functions in imaginary time, and this gives access to the dynamical structure factor of the system S(q, ), containing
information about the excitation spectrum E(q), resulting in sharp peaks in S(q, ). The actual evaluation of
S(q, ) requires the inversion of the Laplace transform in ill-posed conditions, which we face via the genetic inversion
via falsification of theories technique. We explore the full density range from the region of spinodal decomposition
to the freezing density, i.e., 0.0321 Å⁻²
– 0.0658 Å⁻². In particular we follow the density dependence
of the excitation spectrum, focusing on the low-wave vector behavior of E(q), the roton dispersion, the strength
of single quasiparticle peak, Z(q), and the static density response function, (q). As the density increases, the
dispersion E(q) at low-wave vector changes from a superlinear (anomalous dispersion) trend to a sublinear (normal
dispersion) one, anticipating the crystallization of the system; at the same time the maxon–roton structure,
which is barely visible at low density, becomes well developed at high densities and the roton wave vector has a
strong density dependence. Connection is made with recent inelastic neutron scattering results from highly ordered
silica nanopores partially filled with
⁴He
Phase diagram and single-particle spectrum of CuO layers within a variational cluster approach to the 3-band Hubbard model
We carry out a detailed numerical study of the three-band Hubbard model in
the underdoped region both in the hole- as well as in the electron-doped case
by means of the variational cluster approach. Both the phase diagram and the
low-energy single-particle spectrum are very similar to recent results for the
single-band Hubbard model with next-nearest-neighbor hoppings. In particular,
we obtain a mixed antiferromagnetic+superconducting phase at low doping with a
first-order transition to a pure superconducting phase accompanied by phase
separation. In the single-particle spectrum a clear Zhang-Rice singlet band
with an incoherent and a coherent part can be seen, in which holes enter upon
doping around . The latter is very similar to the coherent
quasi-particle band crossing the Fermi surface in the single-band model. Doped
electrons go instead into the upper Hubbard band, first filling the regions of
the Brillouin zone around . This fact can be related to the enhanced
robustness of the antiferromagnetic phase as a function of electron doping
compared to hole doping.Comment: 14 pages, 15 eps figure
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