Nearest-neighbor Repulsion Research Articles

Pair supersolid with atom-pair hopping on the state-dependent triangular lattice

We systematically study an extended Bose-Hubbard model with atom hopping and atom-pair hopping in the presence of a three-body constraint on the triangular lattice. By means of large-scale Quantum Monte Carlo simulations, the ground-state phase diagram are studied. We find a continuous transition between the atomic superfluid phase and the pair superfluid when the ratio of the atomic hopping and the atom-pair hopping is adapted. We then focus on the interplay among the atom-pair hopping, the on-site repulsion and the nearest-neighbor repulsion. With on-site repulsion present, we observe first order transitions between the Mott Insulators and pair superfluid driven by the pair hopping. With the nearest-neighbor repulsion turning on, three typical solid phases with 2/3, 1 and 4/3-filling emerge at small atom-pair hopping region. A stable pair supersolid phase is found at small on-site repulsion. This is due to the three-body constraint and the pair hopping, which essentially make the model a quasi hardcore boson system. Thus the pair supersolid state emerges basing on the order-by-disorder mechanism, by which hardcore bosons avoid classical frustration on the triangular lattice. The transition between the pair supersolid and the pair superfluid is first order, except for the particle-hole symmetric point. We compare the results with those obtained by means of mean-field analysis.

Density-dependent tunneling in the extended Bose–Hubbard model

Recently, it has become apparent that when the interactions between polar molecules in optical lattices become strong, the conventional description using the extended Hubbard model has to be modified by additional terms, in particular a density-dependent tunneling term. We investigate here the influence of this term on the ground-state phase diagrams of the two-dimensional extended Bose–Hubbard model. Using quantum Monte Carlo simulations, we investigate the changes of the superfluid, supersolid and phase-separated parameter regions in the phase diagram of the system. By studying the interplay of the density-dependent hopping with the usual on-site interaction U and nearest-neighbor repulsion V , we show that the ground-state phase diagrams differ significantly from those expected from the standard extended Bose–Hubbard model.

Revisiting the Redox Properties of Hydrous Iridium Oxide Films in the Context of Oxygen Evolution

The electrochemistry of hydrous iridium oxide films (HIROF) is revisited. Cyclic voltammograms of HIROFs display two reversible redox couples commonly assigned to the Ir(III)/Ir(IV) and Ir(IV)/Ir(V) transitions, respectively. However, compared to the first, the second redox couple has significantly less charge associated to it. This effect is interpreted as partial oxidation of Ir(IV) as limited by nearest neighbor repulsion of resulting Ir(V) sites. Thus, the redox process is divided into two steps: one preceding and one overlapping the oxygen evolution reaction (OER). Here, the ``super-nernstian'' pH dependence of the redox processes in the HIROF is used to expose how pH controls the overpotential for oxygen evolution, as evidenced by the complementary increased formation of Ir(V) oxide. A recently formulated binuclear mechanism for the OER is employed to illustrate how hydrogen bonding may suppress the OER, thus implicitly favoring Ir(V) oxide formation above the thermodynamic onset potential for the OER at low pH.

Wave-packet dynamics in the one-dimensional extended Hubbard model

Using the time-dependent density-matrix renormalization group, we study the time evolution of electronic wave packets in the one-dimensional extended Hubbard model with on-site and nearest-neighbor repulsion, $U$ and $V$, respectively. As expected, the wave packets separate into spin-only and charge-only excitations (spin-charge separation). Charge and spin velocities exhibit nonmonotonic dependence on $V$. For small and intermediate values of $V$, both velocities increase with $V$. However, the charge velocity exhibits a stronger dependence than that of the spin, leading to a more pronounced spin-charge separation. Charge fractionalization, on the other hand, is weakly affected by $V$. The results are explained in terms of Luttinger liquid theory in the weak-coupling limit and an effective model in the strong-coupling regime.

One-dimensional fermionic systems after interaction quenches and their description by bosonic field theories

We study the time evolution of two fermionic one-dimensional models (spinless fermions with nearest-neighbor repulsion and the Hubbard model) exposed to an interaction quench for short and moderate times. The method used to calculate the time dependence is a semi-numerical approach based on the Heisenberg equation of motion. We compare the results of this approach with the results obtained by bosonization implying power law behavior. Indeed, we find that power laws describe our results well, but our results raise the issue of which exponents occur. For spinless fermions, it seems that the Tomonaga–Luttinger parameters work well, which also describe the equilibrium low-energy physics. But for the Hubbard model this is not the case. Instead, we find that exponents from the bosonization around the initial state work well. Finally, we discuss what can be expected for the long-time behavior.

Quantum phases and phase transitions of frustrated hard-core bosons on a triangular ladder

We study hardcore bosons on a triangular ladder at half filling in the presence of a frustrating hopping term and a competing nearest neighbor repulsion $V$ which promotes crystallization. Using the finite-size density-matrix renormalization group method, we obtain the phase diagram which contains three phases: a uniform superfluid (SF), an insulating charge density wave (CDW) crystal and a bond ordered insulator (BO). We find that the transitions from SF to CDW and SF to BO are continuous in nature, with critical exponents varying continously along the phase boundaries, while the transition from CDW to BO is found to be first order. The phase diagram is also shown to contain an exactly solvable Majumdar Ghosh point, and re-entrant SF to CDW phase transitions.

Supersymmetric multicritical point in a model of lattice fermions

We study a model of spinless fermions with infinite nearest-neighbor repulsion on the square ladder, which has microscopic supersymmetry. It has been conjectured that in the continuum, the model is described by the superconformal minimal model with central charge $c=3/2$. Thus far, it has not been possible to confirm this conjecture due to strong finite-size corrections in numerical data. We trace the origin of these corrections to the presence of unusual marginal operators that break Lorentz invariance but preserve part of the supersymmetry. By relying mostly on entanglement entropy calculations with the density-matrix renormalization group, we are able to reduce finite-size effects significantly. This allows us to unambiguously determine the continuum theory of the model. We also study perturbations of the model and establish that the supersymmetric model is a multicritical point. Our work underlines the power of entanglement entropy as a probe of the phases of quantum many-body systems.

Screening and nonlocal correlations in the extended Hubbard model from self-consistent combinedGWand dynamical mean field theory

We describe a recent implementation of the combined $GW$ and dynamical mean field method ($GW$+DMFT) for the two-dimensional Hubbard model with onsite and nearest-neighbor repulsion. We clarify the relation of the $GW$+DMFT scheme to alternative approaches in the literature, and discuss the corresponding approximations to the free-energy functional of the model. Furthermore, we describe a numerically exact technique for the solution of the $GW$+DMFT equations, namely, the hybridization expansion continuous-time algorithm for impurity models with retarded interactions. We compute the low-temperature phase diagram of the half-filled extended Hubbard model, addressing the metal-insulator transition at small intersite interactions and the transition to a charge-ordered state for stronger intersite repulsions. $GW$+DMFT introduces a nontrivial momentum dependence into the many-body self-energy and polarization. We find that the charge fluctuations included in the present approach have a larger impact on the latter than on the former. Finally, within the $GW$+DMFT framework, as in extended DMFT, the intersite repulsion translates into a frequency dependence of the local effective interaction. We analyze this dependence and show how it affects the local spectral function.

Resilience ofd-wave superconductivity to nearest-neighbor repulsion

Many theoretical approaches find d-wave superconductivity in the prototypical one-band Hubbard model for high-temperature superconductors. At strong-coupling (U > W, where U is the on-site repulsion and W=8t the bandwidth) pairing is controlled by the exchange energy J=4t^2/U. One may then surmise, ignoring retardation effects, that near-neighbor Coulomb repulsion V will destroy superconductivity when it becomes larger than J, a condition that is easily satisfied in cuprates for example. Using Cellular Dynamical Mean-Field theory with an exact diagonalization solver for the extended Hubbard model, we show that pairing, at strong coupling, is preserved even when V>>J, as long as V<U/2. While at weak coupling V always reduces the spin fluctuations and hence d-wave pairing, at strong coupling, in the underdoped regime, the increase of J=4t^2/(U-V) caused by V increases binding at low frequency while the pair-breaking effect of V is pushed to high frequency. These two effects compensate in the underdoped regime, in the presence of a pseudogap. While the pseudogap competes with superconductivity, the proximity to the Mott transition that leads to the pseudogap, and retardation effects, protect d-wave superconductivity from V.

Infrared spectra of the one-dimensional quarter-filled Wigner lattice compoundsδ-(EDT-TTF-CONMe2)2X(X=AsF6, Br): Domain-wall excitations

Optical investigations of quarter-filled charge ordered insulators $\ensuremath{\delta}$-(EDT-TTF-CONMe${}_{2}$)${}_{2}X$, $X={\text{AsF}}_{6}$, Br are reported. The spectra evidence the one-dimensional nature of the systems at all temperatures. The charge order exists already at room temperature, the optical gap is estimated to be of the order of 550 cm${}^{\ensuremath{-}1}$ for the $X=\text{Br}$ compound and about 700 cm${}^{\ensuremath{-}1}$ for the $X={\mathrm{AsF}}_{6}$ material. The optical response in the direction of the stacks is discussed in terms of domain-wall excitations of one-dimensional quarter-filled Wigner lattice at moderate values of nearest-neighbor electronic repulsion. A similarity between the effects of temperature contraction and chemical pressure is found.

Chiral condensate with topological degeneracy in graphene and its manifestation in edge states

The role of chiral symmetry in many-body states of graphene in strong magnetic fields is theoretically studied with the honeycomb lattice model. For a spin-split Landau level where the leading electron-electron interaction is the nearest-neighbor repulsion, a chiral condensate is shown to be, within the subspace of the $n=0$ Landau level, an exact many-body ground state having a finite gap, for which a calculation of the Chern number reveals that the ground state is a Hall insulator with a topological degeneracy of two. The topological nature of the ground state is shown to manifest itself as a Kekul\'ean bond order along armchair edges, while the pattern melts in the bulk due to quantum fluctuations. These can be regarded as a realization of the bulk-edge correspondence that is peculiar to a chiral-symmetric system. We have also obtained the ground state when point defects are introduced in the honeycomb lattice to reveal how the presence or absence of the chiral symmetry affects the defect states.

Bimodal Momentum Distribution of the High-Density Supersolid State

By performing exact quantum Monte Carlo simulations, we study the momentum distribution of the supersolid state in the two-dimensional extended Bose-Hubbard model with the nearest-neighbor repulsion. For strong nearest-neighbor repulsions, the supersolid state is stable in a broad region up to large hopping amplitudes and high particle densities. In the supersolid state, the momentum distribution shows a bimodal structure with two peaks related to the superfluidity and solidity respectively. By our calculations, we show that the bimodal structure becomes clearer as the chemical potential (or the particle density) is increased.

Ground-state phase diagram of the two-dimensional extended Bose-Hubbard model

We investigate the ground-state phase diagram of the soft-core Bose-Hubbard model with the nearest-neighbor repulsion on a square lattice by using an unbiased quantum Monte Carlo method. In contrast to the previous study[P. Sengupta {\it et. al.}, Phys. Rev. Lett. {\bf 94}, 207202 (2005)], we present the ground-state phase diagrams up to large hopping parameters. As a result, in addition to the known supersolid above half-filling, we find supersolid even below and at half-filling for large hopping parameters. Furthermore, for the strong nearest-neighbor repulsion, we show that the supersolid phase occupies a remarkably broad region in the phase diagram. The results are in qualitative agreement with that obtained by the Gutzwiller mean-field approximation[M. Iskin, Phys. Rev. A {\bf 83}, 051606(R) (2011) and T. Kimura, Phys. Rev. A {\bf 84}, 063630 (2011)].

Bloch-Zener oscillations of strongly correlated electrons

It is well known that an electron in a single-band tight-binding lattice coherently driven by an external dc electric field undergoes Bloch oscillations. In the framework of the extended Hubbard model, here it is shown theoretically that two strongly interacting electrons with on-site and nearest-neighbor site repulsion undergo a sequence of Bloch oscillations and Zener tunneling, the so-called Bloch-Zener oscillations (BZOs), among different narrow bands formed by bound particle states. Such a kind of BZOs arise because of nearest-neighbor site particle interaction and are thus rather distinct than BZOs observed for a single electron in biperiodic lattices supporting two single-particle minibands.

Study of cooperative breathing-mode in molecular chains

Using a controlled analytic nonperturbative treatment that accounts for the quantum nature of the phonons, we derive a model that generically describes the cooperative breathing-mode at strong electron-phonon interaction in one-band one-dimensional systems. The effective model involves a next-nearest-neighbor hopping (that dominates over the nearest-neighbor hopping at strong coupling) and a nearest-neighbor repulsion that is significantly enhanced due to incompatibility of neighboring dilations/compressions. At non-half-filling, upon tuning the electron-phonon coupling, the system undergoes a period-doubling second-order quantum phase transition from a Luttinger liquid to a conducting commensurate charge-density-wave state: a phenomenon absent in both the Holstein model and the t-V model. Using fidelity to study the nature of the quantum phase transition, we find that the fidelity susceptibility shows a superextensive power law divergence as well as a remarkable scaling behavior; both together establish a second-order transition.

Phase structure of repulsive hard-core bosons in a stacked triangular lattice

In this paper, we study phase structure of a system of hard-core bosons with a nearest-neighbor (NN) repulsive interaction in a stacked triangular lattice. Hamiltonian of the system contains two parameters one of which is the hopping amplitude $t$ between NN sites and the other is the NN repulsion $V$. We investigate the system by means of the Monte-Carlo simulations and clarify the low and high-temperature phase diagrams. There exist solid states with density of boson $\rho={1 \over 3}$ and ${2\over 3}$, superfluid, supersolid and phase-separated state. The result is compared with the phase diagram of the two-dimensional system in a triangular lattice at vanishing temperature.

Quantum and thermal transitions out of the pair-supersolid phase of two-species bosons on a square lattice

We investigate two-species bosons in a two-dimensional square lattice by quantum Monte Carlo method. We show that the inter-species attraction and nearest-neighbor intra-species repulsion results in the pair-supersolid phase, where a diagonal solid order coexists with an off-diagonal pair-superfluid order. The quantum and thermal transitions out of the pair-supersolid phase are characterized. It is found that there is a direct first order transition from the pair-supersolid phase to the double-superfluid phase without an intermediate region. Furthermore, the melting of the pair-supersolid occurs in two steps. Upon heating, first the pair-superfluid is destroyed via a KT transition then the solid order melts via an Ising transition

Commensurate Supersolid of Three-Dimensional Lattice Bosons

Using an unbiased quantum MonteCarlo method, we obtain convincing evidence of the existence of a checkerboard supersolid at a commensurate filling factor 1/2 (a commensurate supersolid) in the soft-core Bose-Hubbard model with nearest-neighbor repulsions on a cubic lattice. In conventional cases, supersolids are realized at incommensurate filling factors by a doped-defect-condensation mechanism, where particles (holes) doped into a perfect crystal act as interstitials (vacancies) and delocalize in the crystal order. However, in the model, a supersolid state is stabilized even at the commensurate filling factor 1/2 without doping. By performing grand canonical simulations, we obtain a ground-state phase diagram that suggests the existence of a supersolid at a commensurate filling. To obtain direct evidence of the commensurate supersolid, we next perform simulations in canonical ensembles at a particle density ρ=1/2 and exclude the possibility of phase separation. From the obtained snapshots, we discuss its microscopic structure and observe that interstitial-vacancy pairs are unbound in the crystal order.

A signature of the quantum phase transition in a hard-core boson model in one dimension

We study quantum phase transitions in a hard-core boson model with nearest-neighbor repulsions in one dimension. As we change the repulsive energy, V, between bosons occupying nearest neighbors, the model exhibits a quantum phase transition from a superfluid (SF) to a charge-density-wave (CDW)-type solid phase at half-filling. By using an exact diagonalization method with a modified Lanczos method, we calculate the ground-state energies up to a precision of O(10−7). From the ground-state energies, we obtain the number of dimers by taking numerical derivatives of the groundstate energies. Because the dissolution of the dimers occurs because of the repulsive energy, V, we find a signature of the quantum phase transition from the behaviors of the correlation energy and those of the number of dimers as a function of V.

Supersolid phase transitions for hard-core bosons on a triangular lattice

Hard-core bosons on a triangular lattice with nearest neighbor repulsion are a prototypical example of a system with supersolid behavior on a lattice. We show that in this model the physical origin of the supersolid phase can be understood quantitatively and analytically by constructing quasiparticle excitations of defects that are moving on an ordered background. The location of the solid to supersolid phase transition line is predicted from the effective model for both positive and negative (frustrated) hopping parameters. For positive hopping parameters the calculations agree very accurately with numerical Quantum Monte Carlo simulations. The numerical results indicate that the supersolid to superfluid transition is first order.