Magnetization process of the spin-1/2 XXZ models on square and cubic lattices

The magnetization process of the spin-1/2 antiferromagnetic XXZ model with Ising-like anisotropy in the ground state is investigated. We show numerically that the Ising-like XXZ models on square and cubic lattices show a first-order phase transition at some critical magnetic field. We estimate the value of the critical field and the magnetization jump on the basis of the Maxwell construction. The magnetization jump in the Ising-limit is investigated by means of perturbation theory. Based on our numerical results, we briefly discuss the phase diagram of the extended Bose-Hubbard model in the hard-core limit.Comment: 13 pages, RevTex, 7 PostScript figures, to appear in Phys.Rev.

Comparative study of density functional theories of the exchange-correlation hole and energy in silicon

We present a detailed study of the exchange-correlation hole and exchange-correlation energy per particle in the Si crystal as calculated by the Variational Monte Carlo method and predicted by various density functional models. Nonlocal density averaging methods prove to be successful in correcting severe errors in the local density approximation (LDA) at low densities where the density changes dramatically over the correlation length of the LDA hole, but fail to provide systematic improvements at higher densities where the effects of density inhomogeneity are more subtle. Exchange and correlation considered separately show a sensitivity to the nonlocal semiconductor crystal environment, particularly within the Si bond, which is not predicted by the nonlocal approaches based on density averaging. The exchange hole is well described by a bonding orbital picture, while the correlation hole has a significant component due to the polarization of the nearby bonds, which partially screens out the anisotropy in the exchange hole.Comment: 16 pages, 5 figures, RevTeX, added conten

Charge and spin dynamics in the one-dimensional t−Jzt-J_z and t−Jt-J models

The impact of the spin-flip terms on the (static and dynamic) charge and spin correlations in the Luttinger-liquid ground state of the 1D $t-J$ model is assessed by comparison with the same quantities in the 1D $t-J_z$ model, where spin-flip terms are absent. We employ the recursion method combined with a weak-coupling or a strong-coupling continued-fraction analysis. At $J_z/t=0^+$ we use the Pfaffian representation of dynamic spin correlations. The changing nature of the dynamically relevant charge and spin excitations on approach of the transition to phase separation is investigated in detail. The $t-J_z$ charge excitations (but not the spin excitations) at the transition have a single-mode nature, whereas charge and spin excitations have a complicated structure in the $t-J$ model. In the $t-J_z$ model, phase separation is accompanied by N\'eel long-range order, caused by the condensation of electron clusters with an already existing alternating up-down spin configuration (topological long-range order). In the $t-J$ model, by contrast, the spin-flip processes in the exchange coupling are responsible for continued strong spin fluctuations (dominated by 2-spinon excitations) in the phase-separated state.Comment: 11 pages (RevTex). 14 Figures available from author

Scale-free static and dynamical correlations in melts of monodisperse and Flory-distributed homopolymers: A review of recent bond-fluctuation model studies

It has been assumed until very recently that all long-range correlations are screened in three-dimensional melts of linear homopolymers on distances beyond the correlation length $\xi$ characterizing the decay of the density fluctuations. Summarizing simulation results obtained by means of a variant of the bond-fluctuation model with finite monomer excluded volume interactions and topology violating local and global Monte Carlo moves, we show that due to an interplay of the chain connectivity and the incompressibility constraint, both static and dynamical correlations arise on distances $r \gg \xi$. These correlations are scale-free and, surprisingly, do not depend explicitly on the compressibility of the solution. Both monodisperse and (essentially) Flory-distributed equilibrium polymers are considered.Comment: 60 pages, 49 figure