Fate of the Wigner crystal on the square lattice

The phase diagram of a system of electrons hopping on a square lattice and interacting through long-range Coulomb forces is studied as a function of density and interaction strength. The presence of a lattice strongly enhances the stability of the Wigner crystal phase as compared to the case of the two-dimensional electron gas.Comment: ECRYS-2005 proceeding

Incipient quantum melting of the one-dimensional Wigner lattice

A one--dimensional tight--binding model of electrons with long--range Coulomb interactions is studied in the limit where double site occupancy is forbidden and the Coulomb coupling strength $V$ is large with respect to the hopping amplitude $t$. The quantum problem of a kink--antikink pair generated in the Wigner lattice (the classical ground state for $t=0$) is solved for fillings $n=1/s$, where $s$ is an integer larger than 1. The pair energy becomes negative for a relatively high value of $V$, $V_c/t\approx s^3$. This signals the initial stage of the quantum melting of the Wigner lattice

Variational Wave Function for Generalized Wigner Lattices in One Dimension

We study a system of electrons on a one-dimensional lattice, interacting through the long range Coulomb forces, by means of a variational technique which is the strong coupling analog of the Gutzwiller approach. The problem is thus the quantum version of Hubbard's classical model of the generalized Wigner crystal [J. Hubbard, Phys. Rev. B 17, 494 (1978)]. The magnetic exchange energy arising from quantum fluctuations is calculated, and turns out to be smaller than the energy scale governing charge degrees of freedom. This approach could be relevant in insulating quasi-one-dimensional compounds where the long range Coulomb interactions are not screened. In these compounds charge order often appears at high temperatures and coexists with magnetic order at low temperatures.Comment: 4 pages, proceedings of ECRYS-200

Low density ferromagnetism in the Hubbard model

A single-band Hubbard model with nearest and next-nearest neighbour hopping is studied for $d=1$, 2, 3, using both analytical and numerical techniques. In one dimension, saturated ferromagnetism is found above a critical value of $U$ for a band structure with two minima and for small and intermediate densities. This is an extension of a scenario recently proposed by M\"uller--Hartmann. For three dimensions and non-pathological band structures, it is proven that such a scenario does not work.Comment: 4 pages, 3 postscript figure

Density matrix renormalization group study of conjugated polymers with transverse pi-conjugation

We report accurate numerical studies of excited state orderings in long hypothetical pi-conjugated oligomers in which the hydrogen atoms of trans-polyacetylene are replaced with conjugated sidegroups, within modified Hubbard models. There exists a range of the bare Coulomb repulsion for which the excited state ordering is conducive to photoluminescence in the substituted systems, even as this ordering is opposite in the unsubstituted polyenes of the same lengths. Our work provides motivation to study real pi-conjugated polymers with transverse conjugation and small optical gaps.Comment: 5 pages, 4 fig

Cooperative orbital ordering and Peierls instability in the checkerboard lattice with doubly degenerate orbitals

It has been suggested that the metal-insulator transitions in a number of spinel materials with partially-filled t_2g d-orbitals can be explained as orbitally-driven Peierls instabilities. Motivated by these suggestions, we examine theoretically the possibility of formation of such orbitally-driven states within a simplified theoretical model, a two-dimensional checkerboard lattice with two directional metal orbitals per atomic site. We include orbital ordering and inter-atom electron-phonon interactions self-consistently within a semi-classical approximation, and onsite intra- and inter-orbital electron-electron interactions at the Hartree-Fock level. We find a stable, orbitally-induced Peierls bond-dimerized state for carrier concentration of one electron per atom. The Peierls bond distortion pattern continues to be period 2 bond-dimerization even when the charge density in the orbitals forming the one-dimensional band is significantly smaller than 1. In contrast, for carrier density of half an electron per atom the Peierls instability is absent within one-electron theory as well as mean-field theory of electron-electron interactions, even for nearly complete orbital ordering. We discuss the implications of our results in relation to complex charge, bond, and orbital-ordering found in spinels.Comment: 8 pages, 5 figures; revised versio

Electron-Electron Interactions on the Edge States of Graphene: A Many Body Configuration Interaction Study

We have studied zigzag and armchair graphene nano ribbons (GNRs), described by the Hubbard Hamiltonian using quantum many body configuration interaction methods. Due to finite termination, we find that the bipartite nature of the graphene lattice gets destroyed at the edges making the ground state of the zigzag GNRs a high spin state, whereas the ground state of the armchair GNRs remains a singlet. Our calculations of charge and spin densities suggest that, although the electron density prefers to accumulate on the edges, instead of spin polarization, the up and down spins prefer to mix throughout the GNR lattice. While the many body charge gap results in insulating behavior for both kinds of GNRs, the conduction upon application of electric field is still possible through the edge channels because of their high electron density. Analysis of optical states suggest differences in quantum efficiency of luminescence for zigzag and armchair GNRs, which can be probed by simple experiments.Comment: 5 pages, 4 figure

Competing effects of interactions and spin-orbit coupling in a quantum wire

We study the interplay of electron-electron interactions and Rashba spin-orbit coupling in one-dimensional ballistic wires. Using the renormalization group approach we construct the phase diagram in terms of Rashba coupling, Tomonaga-Luttinger stiffness and backward scattering strength. We identify the parameter regimes with a dynamically generated spin gap and show where the Luttinger liquid prevails. We also discuss the consequences for the operation of the Datta-Das transistor.Comment: 4 pages, 2 figure

Many-body theory of electronic transport in single-molecule heterojunctions

A many-body theory of molecular junction transport based on nonequilibrium Green's functions is developed, which treats coherent quantum effects and Coulomb interactions on an equal footing. The central quantity of the many-body theory is the Coulomb self-energy matrix $\Sigma_{\rm C}$ of the junction. $\Sigma_{\rm C}$ is evaluated exactly in the sequential tunneling limit, and the correction due to finite tunneling width is evaluated self-consistently using a conserving approximation based on diagrammatic perturbation theory on the Keldysh contour. Our approach reproduces the key features of both the Coulomb blockade and coherent transport regimes simultaneously in a single unified transport theory. As a first application of our theory, we have calculated the thermoelectric power and differential conductance spectrum of a benzenedithiol-gold junction using a semi-empirical $\pi$-electron Hamiltonian that accurately describes the full spectrum of electronic excitations of the molecule up to 8--10eV.Comment: 13 pages, 7 figure