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arXiv:1802.08538 · Physical review. B./Physical review. B

Thermal algebraic-decay charge liquid driven by competing short-range Coulomb repulsion

Ryui Kaneko, Yoshihiko Nonomura, Masanori Kohno

Published May 22, 2018• 5 citations
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Abstract

We explore the possibility of a Berezinskii-Kosterlitz-Thouless-like critical phase for the charge degrees of freedom in the intermediate-temperature regime between the charge-ordered and disordered phases in two-dimensional systems with competing short-range Coulomb repulsion. As the simplest example, we investigate the extended Hubbard model with on-site and nearest-neighbor Coulomb interactions on a triangular lattice at half filling in the atomic limit by using a classical Monte Carlo method, and find a critical phase, characterized by algebraic decay of the charge correlation function, belonging to the universality class of the two-dimensional XY model with a ${\mathbb{Z}}_{6}$ anisotropy. Based on the results, we discuss possible conditions for the critical phase in materials.

DOI
10.1103/physrevb.97.205125

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We explore the possibility of a Berezinskii-Kosterlitz-Thouless-like critical phase for the charge degrees of freedom in the intermediate-temperature regime between the charge-ordered and disordered phases in two-dimensional systems with competing short-range Coulomb repulsion. As the simplest example, we investigate the extended Hubbard model with on-site and nearest-neighbor Coulomb interactions on a triangular lattice at half filling in the atomic limit by using a classical Monte Carlo method, and find a critical phase, characterized by algebraic decay of the charge correlation function, belonging to the universality class of the two-dimensional XY model with a Z6{\mathbb{Z}}_{6}Z6​ anisotropy. Based on the results, we discuss possible conditions for the critical phase in materials.
The critical behavior of statistical models with long-range interactions exhibits distinct regimes as a function of $\ensuremath{\rho}$, the power of the interaction strength decay. For large enough $\ensuremath{\rho}, \ensuremath{\rho}>{\ensuremath{\rho}}_{\mathrm{sr}}$, the critical behavior is observed to coincide with that of the short-range model. However, there are controversial aspects regarding this picture, one of which is the value of the short-range threshold ${\ensuremath{\rho}}_{\mathrm{sr}}$ in the case of the long-range XY model in two dimensions. We study the 2D XY model on the diluted graph, a sparse graph obtained from the 2D lattice by rewiring links with probability decaying with the Euclidean distance of the lattice as ${|r|}^{\ensuremath{-}\ensuremath{\rho}}$, which is expected to feature the same critical behavior of the long-range model. Through Monte Carlo sampling and finite-size analysis of the spontaneous magnetization and of the Binder cumulant, we present numerical evidence that ${\ensuremath{\rho}}_{\mathrm{sr}}=4$. According to such a result, one expects the model to belong to the Berezinskii-Kosterlitz-Thouless universality class for $\ensuremath{\rho}\ensuremath{\ge}4$, and to present a second-order transition for $\ensuremath{\rho}<4$.
The Berezinskii-Kosterlitz-Thouless (BKT) transition is the paradigmatic example of a topological phase transition without symmetry breaking, where a quasiordered phase, characterized by a power-law scaling of the correlation functions at low temperature, is disrupted by the proliferation of topological excitations above the critical temperature T_{BKT}. In this Letter, we consider the effect of long-range decaying couplings ∼r^{-2-σ} on the BKT transition. After pointing out the relevance of this nontrivial problem, we discuss the phase diagram, which is far richer than the corresponding short-range one. It features-for 7/4<σ<2-a quasiordered phase in a finite temperature range T_{c}<T<T_{BKT}, which occurs between a symmetry broken phase for T<T_{c} and a disordered phase for T>T_{BKT}. The transition temperature T_{c} displays unique universal features quite different from those of the traditional, short-range XY model. Given the universal nature of our findings, they may be observed in current experimental realizations in 2D atomic, molecular, and optical quantum systems.
The ordering of charges on half-filled hypercubic lattices is investigated numerically, where electroneutrality is ensured by background charges. This system is equivalent to the s=1/2s=1/2s=1/2 Ising lattice model with antiferromagnetic 1/r1/r1/r interaction. The temperature dependences of specific heat, mean staggered occupation, and of a generalized susceptibility indicate continuous order-disorder phase transitions at finite temperatures in two- and three-dimensional systems. In contrast, the susceptibility of the one-dimensional system exhibits singular behavior at vanishing temperature. For the two- and three-dimensional cases, the critical exponents are obtained by means of a finite-size scaling analysis. Their values are consistent with those of the Ising model with short-range interaction, and they imply that the studied model cannot belong to any other known universality class. Samples of up to 1400, 1122{112}^{2}1122, and 223{22}^{3}223 sites are considered for dimensions 1 to 3, respectively.
The Hubbard-Holstein model is one of the central models that describe the competition between electron-electron and electron-phonon interactions. In one dimension and at half-filling, the interplay between an electronic spin-density wave and a phonon-driven charge-density wave is considered to stabilize an intermediate Luther-Emery liquid. Here we show that, once the extended metallic regime disappears, a narrow bond-order-wave phase emerges. We use an exact directed-loop quantum Monte Carlo method for retarded interactions to simulate system sizes of several hundred sites, necessary to observe the weak signatures of this novel phase. Our results suggest a second-order quantum phase transition between the two charge orders that only turns first-order at strong coupling. Our findings are reminiscent of the extended Hubbard model, but they are driven by competing frequency dependencies of the same dynamically-screened Hubbard interaction.
We present a generalization of the recently proposed variational cluster perturbation theory to extended Hubbard models at half-filling with repulsive nearest neighbor interaction. The method takes into account short-range correlations correctly by the exact diagonalization of clusters of finite size, whereas long-range order beyond the size of the clusters is treated on a mean-field level. For one dimension, we show that quantum Monte Carlo and density-matrix renormalization-group results can be reproduced with very good accuracy. Moreover we apply the method to the two-dimensional extended Hubbard model on a square lattice. In contrast to the one-dimensional case, a first order phase transition between spin density wave phase and charge density wave phase is found as function of the nearest-neighbor interaction at onsite interactions $U\ensuremath{\geqslant}3t$. The single-particle spectral function is calculated for both the one-dimensional and the two-dimensional system.
We perform a thorough study of the extended Hubbard model featuring local and nearest-neighbor Coulomb repulsion. Using the dynamical mean-field theory we investigated the zero-temperature phase diagram of this model as a function of the chemical doping. The interplay between local and nonlocal interactions drives a variety of phase transitions connecting two distinct charge-ordered insulators, i.e., half filled and quarter filled, a charge-ordered metal and a Mott-insulating phase. We characterize these transitions and the relative stability of the solutions and we show that the two interactions conspire to stabilize the quarter-filled charge-ordered phase.