Quantum phases of a Feshbach-resonant atomic Bose gas in one dimension

We study an atomic Bose gas with an s-wave Feshbach resonance in a one-dimensional optical lattice, with the densities of atoms and molecules incommensurate with the lattice. At zero temperature, most of the parameter region is occupied by a phase in which the superfluid fluctuations of atoms and molecules are the predominant ones, due to the phase fluctuations of atoms and molecules being locked by a Josephson coupling between them. When the density difference between atoms and molecules is commensurate with the lattice, two additional phases may exist: the two component Luttinger liquid where both the atomic and molecular sectors are gapless, and the inter-channel charge density wave where the relative density fluctuations between atoms and molecules are frozen at low energy.Comment: 4+epsilon pages, 3 figures; references adde

Three-Component Fermionic Atoms with Repulsive Interaction in Optical Lattices

We investigate three-component (colors) repulsive fermionic atoms in optical lattices using the dynamical mean field theory. Depending on the anisotropy of the repulsive interactions, either a color density-wave state or a color selective staggered state appears at half filling. In the former state, pairs of atoms with two of the three colors and atoms with the third color occupy different sites alternately. In the latter state, atoms with two of the three colors occupy different sites alternately and atoms with the third color are itinerant throughout the system. When the interactions are isotropic, both states are degenerate. We discuss the results using an effective model.Comment: 5 pages, 5 figure

Current-Induced Step Bending Instability on Vicinal Surfaces

We model an apparent instability seen in recent experiments on current induced step bunching on Si(111) surfaces using a generalized 2D BCF model, where adatoms have a diffusion bias parallel to the step edges and there is an attachment barrier at the step edge. We find a new linear instability with novel step patterns. Monte Carlo simulations on a solid-on-solid model are used to study the instability beyond the linear regime.Comment: 4 pages, 4 figure

Consistent Anisotropic Repulsions for Simple Molecules

We extract atom-atom potentials from the effective spherical potentials that suc cessfully model Hugoniot experiments on molecular fluids, e.g., $O_2$ and $N_2$. In the case of $O_2$ the resulting potentials compare very well with the atom-atom potentials used in studies of solid-state propertie s, while for $N_2$ they are considerably softer at short distances. Ground state (T=0K) and room temperatu re calculations performed with the new $N-N$ potential resolve the previous discrepancy between experimental and theoretical results.Comment: RevTeX, 5 figure

Consistent Anisotropic Repulsions for Simple Molecules

We extract atom-atom potentials from the effective spherical potentials that suc cessfully model Hugoniot experiments on molecular fluids, e.g., $O_2$ and $N_2$. In the case of $O_2$ the resulting potentials compare very well with the atom-atom potentials used in studies of solid-state propertie s, while for $N_2$ they are considerably softer at short distances. Ground state (T=0K) and room temperatu re calculations performed with the new $N-N$ potential resolve the previous discrepancy between experimental and theoretical results.Comment: RevTeX, 5 figure

Proposal of an extended t-J Hamiltonian for high-Tc cuprates from ab initio calculations on embedded clusters

A series of accurate ab initio calculations on Cu_pO-q finite clusters, properly embedded on the Madelung potential of the infinite lattice, have been performed in order to determine the local effective interactions in the CuO_2 planes of La_{2-x}Sr_xCuO_4 compounds. The values of the first-neighbor interactions, magnetic coupling (J_{NN}=125 meV) and hopping integral (t_{NN}=-555 meV), have been confirmed. Important additional effects are evidenced, concerning essentially the second-neighbor hopping integral t_{NNN}=+110meV, the displacement of a singlet toward an adjacent colinear hole, h_{SD}^{abc}=-80 meV, a non-negligible hole-hole repulsion V_{NN}-V_{NNN}=0.8 eV and a strong anisotropic effect of the presence of an adjacent hole on the values of the first-neighbor interactions. The dependence of J_{NN} and t_{NN} on the position of neighbor hole(s) has been rationalized from the two-band model and checked from a series of additional ab initio calculations. An extended t-J model Hamiltonian has been proposed on the basis of these results. It is argued that the here-proposed three-body effects may play a role in the charge/spin separation observed in these compounds, that is, in the formation and dynamic of stripes.Comment: 24 pages, 4 figures, submitted to Phys. Rev.

Superlubricity - a new perspective on an established paradigm

Superlubricity is a frictionless tribological state sometimes occurring in nanoscale material junctions. It is often associated with incommensurate surface lattice structures appearing at the interface. Here, by using the recently introduced registry index concept which quantifies the registry mismatch in layered materials, we prove the existence of a direct relation between interlayer commensurability and wearless friction in layered materials. We show that our simple and intuitive model is able to capture, down to fine details, the experimentally measured frictional behavior of a hexagonal graphene flake sliding on-top of the surface of graphite. We further predict that superlubricity is expected to occur in hexagonal boron nitride as well with tribological characteristics very similar to those observed for the graphitic system. The success of our method in predicting experimental results along with its exceptional computational efficiency opens the way for modeling large-scale material interfaces way beyond the reach of standard simulation techniques.Comment: 18 pages, 7 figure

Bosonic t-J Model in a stacked triangular lattice and its phase diagram

In this paper, we study phase diagram of a system of two-component hard-core bosons with nearest-neighbor (NN) pseudo-spin antiferromagnetic (AF) interactions in a stacked triangular lattice. Hamiltonian of the system contains three parameters one of which is the hopping amplitude $t$ between NN sites, and the other two are the NN pseudo-spin exchange interaction $J$ and the one that measures anisotropy of pseudo-spin interactions. We investigate the system by means of the Monte-Carlo simulations and clarify the low-temperature phase diagram. In particular, we are interested in how the competing orders, i.e., AF order and superfluidity, are realized, and also whether supersolid forms as a result of hole doping into the state of the $\sqrt{3}\times \sqrt{3}$ pseudo-spin pattern with the $120^o$ structure.Comment: 18 pages, 17 figures, Version to appear in J.Phys.Soc.Jp