Hidden unity in the quantum description of matter

We introduce an algebraic framework for interacting quantum systems that enables studying complex phenomena, characterized by the coexistence and competition of various broken symmetry states of matter. The approach unveils the hidden unity behind seemingly unrelated physical phenomena, thus establishing exact connections between them. This leads to the fundamental concept of {\it universality} of physical phenomena, a general concept not restricted to the domain of critical behavior. Key to our framework is the concept of {\it languages} and the construction of {\it dictionaries} relating them.Comment: 10 pages 2 psfigures. Appeared in Recent Progress in Many-Body Theorie

Excitons in insulating cuprates

We study the electronic excitations near the charge-transfer gap in insulating CuO$_2$ planes, starting from a six-band model which includes $p_\pi$ and $d_{xy}$ orbitals and Cu-O nearest-neighbor repulsion $U_{pd}$. While the low lying electronic excitations in the doped system are well described by a modified $t-J$ model, the excitonic states of the insulator include hybrid $d_{xy}-$ $p_\pi$ states of $A_{2g}$ symmetry. We also obtain excitons of symmetries $B_{1g}$ and $E_u$, and eventually $A_{1g}$, which can be explained within a one-band model. The results agree with observed optical absorption and Raman excitations.Comment: 10 pages and 3 figures in postscript format, compressed with uufile

A Transferable H2O Interaction Potential Based on a Single Center Multipole Expansion: SCME

A transferable potential energy function for describing the interaction between water molecules is presented. The electrostatic interaction is described rigorously using a multipole expansion. Only one expansion center is used per molecule to avoid the introduction of monopoles. This single center approach turns out to converge and give close agreement with ab initio calculations when carried out up to and including the hexadecapole. Both dipole and quadrupole polarizability is included. All parameters in the electrostatic interaction as well as the dispersion interaction are taken from ab initio calculations or experimental measurements of a single water molecule. The repulsive part of the interaction is parametrized to fit ab initio calculations of small water clusters and experimental measurements of ice Ih. The parametrized potential function was then used to simulate liquid water and the results agree well with experiment, even better than simulations using some of the point charge potentials fitted to liquid water. The evaluation of the new interaction potential for condensed phases is fast because point charges are not present and the interaction can, to a good approximation, be truncated at a finite range.Comment: 30 pages, 15 figures, 11 table

Magnetoelectric effects in an organo-metallic quantum magnet

We observe a bilinear magnetic field-induced electric polarization of 50 $\mu C/m^2$ in single crystals of NiCl$_2$-4SC(NH$_2$)$_2$ (DTN). DTN forms a tetragonal structure that breaks inversion symmetry, with the highly polar thiourea molecules all tilted in the same direction along the c-axis. Application of a magnetic field between 2 and 12 T induces canted antiferromagnetism of the Ni spins and the resulting magnetization closely tracks the electric polarization. We speculate that the Ni magnetic forces acting on the soft organic lattice can create significant distortions and modify the angles of the thiourea molecules, thereby creating a magnetoelectric effect. This is an example of how magnetoelectric effects can be constructed in organo-metallic single crystals by combining magnetic ions with electrically polar organic elements.Comment: 3 pages, 3 figure

Electron Spin Resonance of defects in the Haldane System Y(2)BaNiO(5)

We calculate the electron paramagnetic resonance (EPR) spectra of the antiferromagnetic spin-1 chain compound Y(2)BaNi(1-x)Mg(x)O(5) for different values of x and temperature T much lower than the Haldane gap (~100K). The low-energy spectrum of an anisotropic Heisenberg Hamiltonian, with all parameters determined from experiment, has been solved using DMRG. The observed EPR spectra are quantitatively reproduced by this model. The presence of end-chain S=1/2 states is clearly observed as the main peak in the spectrum and the remaining structure is completely understood.Comment: 5 pages, 4 figures include

Random interactions and spin-glass thermodynamic transition in the hole-doped Haldane system Y2−x_{2-x}Cax_xBaNiO5_5

Magnetization, DC and AC bulk susceptibility of the $S$=1 Haldane chain system doped with electronic holes, Y$_{2-x}$Ca$_x$BaNiO$_5$ (0$\leq$x$\leq$0.20), have been measured and analyzed. The most striking results are (i) a sub-Curie power law behavior of the linear susceptibility, $\chi (T)$$\sim$ $T$$^{-\alpha}$, for temperature lower than the Haldane gap of the undoped compound (x=0) (ii) the existence of a spin-glass thermodynamic transition at $T$$_g$ = 2-3 K. These findings are consistent with (i) random couplings within the chains between the spin degrees of freedom induced by hole doping, (ii) the existence of ferromagnetic bonds that induce magnetic frustration when interchain interactions come into play at low temperature.Comment: 4 pages, 4 figures, to appear in Phys. Rev.

Novel magnetic orderings in the kagome Kondo-lattice model

We consider the Kondo-lattice model on the kagome lattice and study its weak-coupling instabilities at band filling fractions for which the Fermi surface has singularities. These singularites include Dirac points, quadratic Fermi points in contact with a flat band, and Van Hove saddle points. By combining a controlled analytical approach with large-scale numerical simulations, we demonstrate that the weak-coupling instabilities of the Kondo-lattice model lead to exotic magnetic orderings. In particular, some of these magnetic orderings produce a spontaneous quantum anomalous Hall state.Comment: 15 pages, 11 figure