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Cold atoms in real-space optical lattices
Cold atoms in optical lattices are described in {\it real space} by
multi-orbital mean-field Ans\"atze. In this work we consider four typical
systems: (i) spinless identical bosons, (ii) spinor identical bosons (iii),
Bose-Bose mixtures, and (iv) Bose-Fermi mixtures and derive in each case the
corresponding multi-orbital mean-field energy-functional and working equations.
The notions of {\it dressed} Wannier functions and Wannier spinors are
introduced and the equations defining them are presented and discussed. The
dressed Wannier functions are the set of orthogonal, translationally-equivalent
orbitals which minimizes the energy of the Hamiltonian including boson-boson
(particle-particle) interactions. Illustrative examples of dressed Wannier
functions are provided for spinless bosonic atoms and mixtures in
one-dimensional optical lattices.Comment: 27 pages, 4 figures; [version minus figures published
Mott-Hubbard exciton in the optical conductivity of YTiO3 and SmTiO3
In the Mott-Hubbard insulators YTiO3 and SmTiO3 we study optical excitations
from the lower to the upper Hubbard band, d^1d^1 -> d^0d^2. The multi-peak
structure observed in the optical conductivity reflects the multiplet structure
of the upper Hubbard band in a multi-orbital system. Absorption bands at 2.55
and 4.15 eV in the ferromagnet YTiO3 correspond to final states with a triplet
d^2 configuration, whereas a peak at 3.7 eV in the antiferromagnet SmTiO3 is
attributed to a singlet d^2 final state. A strongly temperature-dependent peak
at 1.95 eV in YTiO3 and 1.8 eV in SmTiO3 is interpreted in terms of a Hubbard
exciton, i.e., a charge-neutral (quasi-)bound state of a hole in the lower
Hubbard band and a double occupancy in the upper one. The binding to such a
Hubbard exciton may arise both due to Coulomb attraction between
nearest-neighbor sites and due to a lowering of the kinetic energy in a system
with magnetic and/or orbital correlations. Furthermore, we observe anomalies of
the spectral weight in the vicinity of the magnetic ordering transitions, both
in YTiO3 and SmTiO3. In the G-type antiferromagnet SmTiO3, the sign of the
change of the spectral weight at T_N depends on the polarization. This
demonstrates that the temperature dependence of the spectral weight is not
dominated by the spin-spin correlations, but rather reflects small changes of
the orbital occupation.Comment: Strongly extended version; new data of SmTiO3 included; detailed
discussion of temperature dependence include
The Effects of Phase Separation in the Cuprate Superconductors
Phase separation has been observed by several different experiments and it is
believed to be closely related with the physics of cuprates but its exactly
role is not yet well known. We propose that the onset of pseudogap phenomenon
or the upper pseudogap temperature has its origin in a spontaneous phase
separation transition at the temperature . In order to perform
quantitative calculations, we use a Cahn-Hilliard (CH) differential equation
originally proposed to the studies of alloys and on a spinodal decomposition
mechanism. Solving numerically the CH equation it is possible to follow the
time evolution of a coarse-grained order parameter which satisfies a
Ginzburg-Landau free-energy functional commonly used to model superconductors.
In this approach, we follow the process of charge segregation into two main
equilibrium hole density branches and the energy gap normally attributed to the
upper pseudogap arises as the free-energy potential barrier between these two
equilibrium densities below . This simulation provides quantitative
results %on the hole doping and temperature %dependence of the degree of the
charge inhomogeneity in agreement with %some experiments and the simulations
reproduce the observed stripe and granular pattern of segregation. Furthermore,
with a Bogoliubov-deGennes (BdG) local superconducting critical temperature
calculation for the lower pseudogap or the onset of local superconductivity, it
yields novel interpretation of several non-conventional measurements on
cuprates.Comment: Published versio
Optimal time-dependent lattice models for nonequilibrium dynamics
Lattice models are abundant in theoretical and condensed-matter physics.
Generally, lattice models contain time-independent hopping and interaction
parameters that are derived from the Wannier functions of the noninteracting
problem. Here, we present a new concept based on time-dependent Wannier
functions and the variational principle that leads to optimal time-dependent
lattice models. As an application, we use the Bose-Hubbard model with
time-dependent Wannier functions to study a quench scenario involving higher
bands. We find a separation of times scales in the dynamics and show that under
some circumstances the multi-band nonequilibrium dynamics of a quantum system
can be obtained essentially at the cost of a single-band model.Comment: 14 pages, 3 figure
Highly Dispersive Spin Excitations in the Chain Cuprate Li2CuO2
We present an inelastic neutron scattering investigation of Li2CuO2 detecting
the long sought quasi-1D magnetic excitations with a large dispersion along the
CuO2-chains studied up to 25 meV. The total dispersion is governed by a
surprisingly large ferromagnetic (FM) nearest-neighbor exchange integral
J1=-228 K. An anomalous quartic dispersion near the zone center and a
pronounced minimum near (0,0.11,0.5) r.l.u. (corresponding to a spiral
excitation with a pitch angle about 41 degree point to the vicinity of a 3D
FM-spiral critical point. The leading exchange couplings are obtained applying
standard linear spin-wave theory. The 2nd neighbor inter-chain interaction
suppresses a spiral state and drives the FM in-chain ordering below the Ne'el
temperature. The obtained exchange parameters are in agreement with the results
for a realistic five-band extended Hubbard Cu 3d O 2p model and L(S)DA+U
predictions.Comment: 6 pages, 4 figures, submitted to Europhys. Let
Saturation field of frustrated chain cuprates: broad regions of predominant interchain coupling
An efficient and precise thermodynamic method to extract the interchain
coupling (IC) of spatially anisotropic 2D or 3D spin-1/2 systems from their
empirical saturation field H_s (T=0) is proposed. Using density-matrix
renormalization group, hard-core boson, and spin-wave theory we study how H_s
is affected by an antiferromagnetic (AFM) IC between frustrated chains
described in the J_1-J_2-spin model with ferromagnetic 1st and AFM 2nd neighbor
in-chain exchange. A complex 3D-phase diagram has been found. For Li2CuO2 and
Y2Ca2Cu5O10, we show that H_s is solely determined by the IC and predict H_s
approx 61 T for the latter.Using H_s approx 55 T from our high-field pulsed
measurements one reads out a weak IC for Li2CuO2 close to that from neutron
scattering.Comment: 4 pages, 6 figures, slightly revised version including a slightly
changed title and abstract, one new figure and an EPAPS-supplementatary part
have been adde
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