Spectral properties of coupled cavity arrays in one dimension

Spectral properties of coupled cavity arrays in one dimension are investigated by means of the variational cluster approach. Coupled cavity arrays consist of two distinct "particles," namely, photons and atomiclike excitations. Spectral functions are evaluated and discussed for both particle types. In addition, densities of states, momentum distributions and spatial correlation functions are presented. Based on this information, polariton "quasiparticles" are introduced as appropriate, wave vector and filling dependent linear combinations of photon and atomiclike particles. Spectral functions and densities of states are evaluated for the polariton quasiparticles, and the weights of their components are analyzed.Comment: 17 pages, 16 figures, version as publishe

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 $D$, 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 $D$ 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

An accurate and efficient algorithm for the computation of the characteristic polynomial of a general square matrix

An algorithm is presented for the efficient and accurate computation of the coefficients of the characteristic polynomial of a general square matrix. The algorithm is especially suited for the evaluation of canonical traces in determinant quantum Monte-Carlo methods.Comment: 8 pages, no figures, to appear in J. Comp. phy

The Angular Momentum of Brightest Cluster Galaxies

Massive Brightest Cluster Galaxies (BCGs) are observed to have a range of angular momenta, suggesting a variety of merging historie

Effective spinless fermions in the strong coupling Kondo model

Starting from the two-orbital Kondo-lattice model with classical t_2g spins, an effective spinless fermion model is derived for strong Hund coupling J_H with a projection technique. The model is studied by Monte Carlo simulations and analytically using a uniform hopping approximation. The results for the spinless fermion model are in remarkable agreement with those of the original Kondo-lattice model, independent of the carrier concentration, and even for moderate Hund coupling J_H. Phase separation, the phase diagram in uniform hopping approximation, as well as spectral properties including the formation of a pseudo-gap are discussed for both the Kondo-lattice and the effective spinless fermion model in one and three dimensions.Comment: Revtex4, 10 pages, 15 figures, typos correcte

Phase diagram and superconductivity of calcium borohyrides at extreme pressures

Motivated by the recent discovery of near-room temperature superconductivity in high-pressure superhydrides, we investigate from first principles the high-pressure superconducting phase diagram of the ternary Ca-B-H system, using ab initio evolutionary crystal structure prediction, and Density Functional Perturbation Theory. We find that below 100 GPa all stable and weakly metastable phases are insulating. This pressure marks the appearance of several new chemically-forbidden phases on the hull of stability, and the first onset of metalization in CaBH5. Metallization is then gradually achieved at higher pressure at different compositions. Among the metallic phases stable in the Megabar regime, we predict two high-Tc superconducting phases with CaBH6 and Ca2B2H13 compositions, with critical temperatures of 119 and 89 K at 300 GPa, respectively, surviving to lower pressures. Ternary hydrides will most likely play a major role in superconductivity research in the coming years; our study suggests that, in order to reduce the pressure for the onset of metallicity and superconductivity, further explorations of ternary hydrides should focus on elements less electronegative than boron

Charge ordering in extended Hubbard models: Variational cluster approach

We present a generalization of the recently proposed variational cluster perturbation theory to extended Hubbard models at half filling with repulsive nearest neighbor interaction. The method takes into account short-range correlations correctly by the exact diagonalisation of clusters of finite size, whereas long-range order beyond the size of the clusters is treated on a mean-field level. For one dimension, we show that quantum Monte Carlo and density-matrix renormalization-group results can be reproduced with very good accuracy. Moreover we apply the method to the two-dimensional extended Hubbard model on a square lattice. In contrast to the one-dimensional case, a first order phase transition between spin density wave phase and charge density wave phase is found as function of the nearest-neighbor interaction at onsite interactions U>=3t. The single-particle spectral function is calculated for both the one-dimensional and the two-dimensional system.Comment: 15 pages, 12 figure