On the Behavior of F2 and its Logarithmic Slopes

It is shown that the CKMT model for the nucleon structure function F2, taken as the initial condition for the NLO evolution equations in perturbative QCD, provides a good description of the HERA data when presented in the form of the logarithmic slopes of F2 vs x and Q2 (Caldwell-plot), in the whole available kinematic ranges. Also the results obtained for the behavior of the gluon component of a nucleon are presented.Comment: 16 pages, 10 figure

Effects of anisotropy in spin molecular-orbital coupling on effective spin models of trinuclear organometallic complexes

We consider layered decorated honeycomb lattices at two-thirds filling, as realized in some trinuclear organometallic complexes. Localized $S=1$ moments with a single-spin anisotropy emerge from the interplay of Coulomb repulsion and spin molecular-orbit coupling (SMOC). Magnetic anisotropies with bond dependent exchange couplings occur in the honeycomb layers when the direct intracluster exchange and the spin molecular-orbital coupling are both present. We find that the effective spin exchange model within the layers is an XXZ + 120$^\circ$ honeycomb quantum compass model. The intrinsic non-spherical symmetry of the multinuclear complexes leads to very different transverse and longitudinal spin molecular-orbital couplings, which greatly enhances the single-spin and exchange coupling anisotropies. The interlayer coupling is described by a XXZ model with anisotropic biquadratic terms. As the correlation strength increases the systems becomes increasingly one-dimensional. Thus, if the ratio of SMOC to the interlayer hopping is small this stabilizes the Haldane phase. However, as the ratio increases there is a quantum phase transition to the topologically trivial `$D$-phase'. We also predict a quantum phase transition from a Haldane phase to a magnetically ordered phase at sufficiently strong external magnetic fields.Comment: 22 pages, 11 figures. Final version of paper to be published in PRB. Important corrections to appendix

Heisenberg and Dzyaloshinskii-Moriya interactions controlled by molecular packing in tri-nuclear organometallic clusters

Motivated by recent synthetic and theoretical progress we consider magnetism in crystals of multi-nuclear organometallic complexes. We calculate the Heisenberg symmetric exchange and the Dzyaloshinskii-Moriya antisymmetric exchange. We show how, in the absence of spin-orbit coupling, the interplay of electronic correlations and quantum interference leads to a quasi-one dimensional effective spin model in a typical tri-nuclear complex, Mo$_3$S$_7$(dmit)$_3$, despite its underlying three dimensional band structure. We show that both intra- and inter-molecular spin-orbit coupling can cause an effective Dzyaloshinskii-Moriya interaction. Furthermore, we show that, even for an isolated pair of molecules the relative orientation of the molecules controls the nature of the Dzyaloshinskii-Moriya coupling. We show that interference effects also play a crucial role in determining the Dzyaloshinskii-Moriya interaction. Thus, we argue, that multi-nuclear organometallic complexes represent an ideal platform to investigate the effects of Dzyaloshinskii-Moriya interactions on quantum magnets.Comment: This update incorporates the corrections described in a recently submitted erratum. Changes are confined to sections IV.A and B. The conclusions of the paper are unchanged. 12 + 4 pages, 9 figure

Spin-orbit coupling in {Mo3_3S7_7(dmit)3_3}

Spin-orbit coupling in crystals is known to lead to unusual direction dependent exchange interactions, however understanding of the consequeces of such effects in molecular crystals is incomplete. Here we perform four component relativistic density functional theory computations on the multi-nuclear molecular crystal {Mo$_3$S$_7$(dmit)$_3$} and show that both intra- and inter-molecular spin-orbit coupling are significant. We determine a long-range relativistic single electron Hamiltonian from first principles by constructing Wannier spin-orbitals. We analyse the various contributions through the lens of group theory. Intermolecular spin-orbit couplings like those found here are known to lead to quantum spin-Hall and topological insulator phases on the 2D lattice formed by the tight-binding model predicted for a single layer of {Mo$_3$S$_7$(dmit)$_3$}

Mott transition in two-dimensional frustrated compounds

The phase diagrams of isotropic and anisotropic triangular lattices with local Coulomb interactions are evaluated within cluster dynamical mean field theory. As a result of partial geometric frustration in the anisotropic lattice, short range correlations are shown to give rise to reentrant behavior which is absent in the fully frustrated isotropic limit. The qualitative features of the phase diagrams including the critical temperatures are in good agreement with experimental data for the layered organic charge transfer salts kappa-(BEDT-TTF)_2Cu[N(CN)_2]Cl and kappa-(BEDT-TTF)_2Cu_2(CN)_3.Comment: 4 pages, 4 figure

Unconventional metallic conduction in two-dimensional Hubbard-Wigner lattices

The interplay between long-range and local Coulomb repulsion in strongly interacting electron systems is explored through a two-dimensional Hubbard-Wigner model. An unconventional metallic state is found in which collective low-energy excitations characteristic of the Wigner crystal induce a flow of electrical current despite the absence of one-electron spectral weight at the Fermi surface. Photoemission experiments on certain quarter-filled layered molecular crystals should observe a gap in the excitation spectrum whereas optical spectroscopy should find a finite Drude weight indicating metallic behavior.Comment: 10 pages, accepted for publication in PR