117 research outputs found
Correlation effects on the electronic structure of TiOCl: a NMTO+DMFT study
Using the recently developed N-th order muffin-tin orbital-based downfolding
technique in combination with the Dynamical Mean Field theory, we investigate
the electronic properties of the much discussed Mott insulator TiOCl in the
undimerized phase. Inclusion of correlation effects through this approach
provides a description of the spectral function into an upper and a lower
Hubbard band with broad valence states formed out of the orbitally polarized,
lower Hubbard band. We find that these results are in good agreement with
recent photo-emission spectra.Comment: 4 pages, 3 figure
Landau Theory of the Finite Temperature Mott Transition
In the context of the dynamical mean-field theory of the Hubbard model, we
identify microscopically an order parameter for the finite temperature Mott
endpoint. We derive a Landau functional of the order parameter. We then use the
order parameter theory to elucidate the singular behavior of various physical
quantities which are experimentally accessible.Comment: 4 pages, 2 figure
Room temperature magnetism in LaVO3/SrVO3 superlattices by geometrically confined doping
Based on the Hubbard model of strongly correlated systems, a reduction in the
bandwidth of the electrons can yield a substantial change in the properties of
the material. One method to modify the bandwidth is geometrically confined
doping, i.e. the introduction of a (thin) dopant layer in a material. In this
paper, the magnetic properties of LaVO/SrVO superlattices, in which the
geometrically confined doping is produced by a one monolayer thick SrVO
film, are presented. In contrast to the solid solution LaSrVO,
such superlattices have a finite magnetization up to room temperature.
Furthermore, the total magnetization of the superlattice depends on the
thickness of the LaVO layer, indicating an indirect coupling of the
magnetization that emerges at adjacent dopant layers. Our results show that
geometrically confined doping, like it can be achieved in superlattices,
reveals a way to induce otherwise unaccessible phases, possibly even with a
large temperature scale.Comment: 5 pages, 4 figure
Ferromagnetism, paramagnetism and a Curie-Weiss metal in an electron doped Hubbard model on a triangular lattice
Motivated by the unconventional properties and rich phase diagram of NaxCoO2
we consider the electronic and magnetic properties of a two-dimensional Hubbard
model on an isotropic triangular lattice doped with electrons away from
half-filling. Dynamical mean-field theory (DMFT) calculations predict that for
negative inter-site hopping amplitudes (t<0) and an on-site Coulomb repulsion,
U, comparable to the bandwidth, the system displays properties typical of a
weakly correlated metal. In contrast, for t>0 a large enhancement of the
effective mass, ferromagnetism and a Curie-Weiss magnetic susceptibility are
found in a broad electron doping range. Our observation of Nagaoka
ferromagnetism is consistent with the A-type antiferromagnetism (i.e.
ferromagnetic layers stacked antiferromagnetically) observed in neutron
scattering experiments on NaxCoO2. We propose that `Curie-Weiss metal' phase
observed in NaxCoO2 is a consequence of the crossover from ``bad metal'' with
incoherent quasiparticles at temperatures T>T* and Fermi liquid behavior with
enhanced parameters below T*, where T* is a low energy coherence scale induced
by strong local Coulomb electron correlations. We propose a model which
contains the charge ordering phenomena observed in the system which, we
propose, drives the system close to the Mott insulating phase even at large
dopings.Comment: 24 pages, 15 figures; accepted for publication in Phys. Rev.
Analyzing the success of T-matrix diagrammatic theories in representing a modified Hubbard model
We present a systematic study of various forms of renormalization that can be
applied in the calculation of the self-energy of the Hubbard model within the
T-matrix approximation. We compare the exact solutions of the attractive and
repulsive Hubbard models, for linear chains of lengths up to eight sites, with
all possible taxonomies of the T-matrix approximation. For the attractive
Hubbard model, the success of a minimally self-consistent theory found earlier
in the atomic limit (Phys. Rev. B 71, 155111 (2005)) is not maintained for
finite clusters unless one is in the very strong correlation limit. For the
repulsive model, in the weak correlation limit at low electronic densities --
that is, where one would expect a self-consistent T-matrix theory to be
adequate -- we find the fully renormalized theory to be most successful. In our
studies we employ a modified Hubbard interaction that eliminates all Hartree
diagrams, an idea which was proposed earlier (Phys. Rev. B 63, 035104 (2000)).Comment: Includes modified discussion of 1st-order phase transition. Accepted
for publication in J. Phys.: Condensed Matte
Local Dynamics and Strong Correlation Physics I: 1D and 2D Half-filled Hubbard Models
We report on a non-perturbative approach to the 1D and 2D Hubbard models that
is capable of recovering both strong and weak-coupling limits. We first show
that even when the on-site Coulomb repulsion, U, is much smaller than the
bandwith, the Mott-Hubbard gap never closes at half-filling in both 1D and 2D.
Consequently, the Hubbard model at half-filling is always in the
strong-coupling non-perturbative regime. For both large and small U, we find
that the population of nearest-neighbour singlet states approaches a value of
order unity as as would be expected for antiferromagnetic order. We
also find that the double occupancy is a smooth monotonic function of U and
approaches the anticipated non-interacting limit and large U limits. Finally,
in our results for the heat capacity in 1D differ by no more than 1% from the
Bethe ansatz predictions. In addition, we find that in 2D, the heat capacity vs
T for different values of U exhibits a universal crossing point at two
characteristic temperatures as is seen experimentally in a wide range of
strongly-correlated systems such as , , and . The
success of this method in recovering well-established results that stem
fundamentally from the Coulomb interaction suggests that local dynamics are at
the heart of the physics of strongly correlated systems.Comment: 10 pages, 16 figures included in text, Final version for publication
with a reference added and minor corrections. Phys. Rev. B, in pres
Mott transition at large orbital degeneracy: dynamical mean-field theory
We study analytically the Mott transition of the N-orbital Hubbard model
using dynamical mean-field theory and a low-energy projection onto an effective
Kondo model. It is demonstrated that the critical interaction at which the
insulator appears (Uc1) and the one at which the metal becomes unstable (Uc2)
have different dependence on the number of orbitals as the latter becomes
large: Uc1 ~ \sqrt{N} while Uc2 ~ N. An exact analytical determination of the
critical coupling Uc2/N is obtained in the large-N limit. The metallic solution
close to this critical coupling has many similarities at low-energy with the
results of slave boson approximations, to which a comparison is made. We also
discuss how the critical temperature associated with the Mott critical endpoint
depends on the number of orbitals.Comment: 13 pages. Minor changes in V
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