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 $T^*$ has its origin in a spontaneous phase separation transition at the temperature $T_{ps}=T^*$. 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 $T_{ps}$. 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