Monte Carlo Renormalization Group Study of the d=1 XXZ Model

We report current progress on the synthesis of methods to alleviate two major difficulties in implementing a Monte Carlo Renormalization Group (MCRG) for quantum systems. In particular, we have utilized the loop-algorithm to reduce critical slowing down, and we have implemented an MCRG method in which the symmetries of the classical equivalent model need not be fully understood, since the Renormalization Group is given by the Monte Carlo simulation. We report preliminary results obtained when the resulting MCRG method is applied to the d=1 XXZ model. Our results are encouraging. However, since this model has a Kosterlitz-Thouless transition, it does not yet provide a full test of our MCRG method.Comment: To appear in "Quantum Monte Carlo Methods in Condensed Matter Physics", ed.\ M. Suzuki, World Scientific, 1993. 14 pages, LaTeX, (3 figures available on request), FSU-SCRI-93-11

Single hole dynamics in the Kondo Necklace and Bilayer Heisenberg models on a square lattice

We study single hole dynamics in the bilayer Heisenberg and Kondo Necklace models. Those models exhibit a magnetic order-disorder quantum phase transition as a function of the interlayer coupling J_perp. At strong coupling in the disordered phase, both models have a single-hole dispersion relation with band maximum at p = (\pi,\pi) and an effective mass at this p-point which scales as the hopping matrix element t. In the Kondo Necklace model, we show that the effective mass at p = (\pi,\pi) remains finite for all considered values of J_perp such that the strong coupling features of the dispersion relation are apparent down to weak coupling. In contrast, in the bilayer Heisenberg model, the effective mass diverges at a finite value of J_perp. This divergence of the effective mass is unrelated to the magnetic quantum phase transition and at weak coupling the dispersion relation maps onto that of a single hole doped in a planar antiferromagnet with band maximum at p = (\pi/2,\pi/2). We equally study the behavior of the quasiparticle residue in the vicinity of the magnetic quantum phase transition both for a mobile and static hole. In contrast to analytical approaches, our numerical results do not unambiguously support the fact that the quasiparticle residue of the static hole vanishes in the vicinity of the critical point. The above results are obtained with a generalized version of the loop algorithm to include single hole dynamics on lattice sizes up to 20 X 20.Comment: 12 pages, 13 Fig

Optical properties and Raman scattering of vanadium ladder compounds

We investigate electronic and optical properties of the V-based ladder compounds NaV2O5, the iso-structural CaV2O5, as well as MgV2O5, which differs from NaV2O5 and CaV2O5 in the c axis stacking. We calculate ab initio the A_g phonon modes in these compounds as a basis for the investigation of the electron-phonon and spin-phonon coupling. The phonon modes together with the dielectric tensors as a function of the corresponding ion displacements are the starting point for the calculation of the A_g Raman scattering.Comment: 4 pages, 5 figures, .bbl file with references included. Accepted for publication in Physica Script

Impact ionization and multiple photon absorptions in the two-dimensional photoexcited Hubbard model

We study the non-equilibrium response of a 4x3 Hubbard model at U=8 under the influence of a short electric field pulse, with the main focus on multiple photon excitations and on the change of double occupancy after the pulse. The behavior mainly depends on the driving frequency of the electric field. The largest change of double occupancy occurs during the pulse. For frequencies below the Mott gap, we observe multiphoton excitations at large field intensities. For frequencies beyond the gap energy, there is a region where Auger recombination reduces the double occupancy after the pulse. Impact ionization (Multi Exciton Generation), namely a growing double occupancy after the pulse, occurs for frequencies larger than twice the Mott gap. From the Loschmidt amplitude we compute the eigenstate spectrum of the quantum state after the pulse, observing multiple distinct photon excitation peaks, in line with expectations from a quasiparticle picture. We introduce a technique with which we analyze the time evolution of double occupancy in each peak individually. The long-term behavior of the double occupancy almost only depends on the absorbed energy, and we explore the connection of this property to the Eigenstate Thermalization Hypothesis.Comment: 13 pages, 12 figures, reference adde