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Journal of Physics A Mathematical and Theoretical

Ionic conductivity in a quantum lattice gas model with three-particle interactions

Jeremiah H. Barry, K. A. Muttalib, T. Tanaka

Published Nov 27, 2012• 2 citations
Publisher

Abstract

A system of mesoscopic ions with dominant three-particle interactions is modeled by a quantum lattice liquid on the planar kagome lattice. The two-parameter Hamiltonian contains localized attractive triplet interactions as potential energy and nearest neighbor hopping-type terms as kinetic energy. The dynamic ionic conductivity σ(ω) is theoretically investigated for 'weak hopping' via a quantum many-body perturbation expansion of the thermal (Matsubara) Green function (current-current correlation). A simple analytic continuation and mapping of the thermal Green function provide the temporal Fourier transform of the physical retarded Green function in the Kubo formula. Substituting pertinent exact solutions for static multi-particle correlations known from previous work, Arrhenius relations are revealed in zeroth-order approximation for the dc ionic conductivity σdc along special trajectories in density–temperature space. The Arrhenius plots directly yield static activation energies along the latter loci. Experimental possibilities relating to σdc are discussed in the presence of equilibrium aggregation.This article is part of 'Lattice models and integrability', a special issue of Journal of Physics A: Mathematical and Theoretical in honour of F Y Wu's 80th birthday.

DOI
10.1088/1751-8113/45/49/494019

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A system of mesoscopic ions with dominant three-particle interactions is modeled by a quantum lattice liquid on the planar kagome lattice. The two-parameter Hamiltonian contains localized attractive triplet interactions as potential energy and nearest neighbor hopping-type terms as kinetic energy. The dynamic ionic conductivity σ(ω) is theoretically investigated for 'weak hopping' via a quantum many-body perturbation expansion of the thermal (Matsubara) Green function (current-current correlation). A simple analytic continuation and mapping of the thermal Green function provide the temporal Fourier transform of the physical retarded Green function in the Kubo formula. Substituting pertinent exact solutions for static multi-particle correlations known from previous work, Arrhenius relations are revealed in zeroth-order approximation for the dc ionic conductivity σdc along special trajectories in density–temperature space. The Arrhenius plots directly yield static activation energies along the latter loci. Experimental possibilities relating to σdc are discussed in the presence of equilibrium aggregation.This article is part of 'Lattice models and integrability', a special issue of Journal of Physics A: Mathematical and Theoretical in honour of F Y Wu's 80th birthday.
Strongly correlated systems on geometrically frustrated lattices can stabilize a large number of interesting phases that includes a wide array of novel Mott insulators in both bosonic and electronic systems. Charge fluctuations in a Mott insulator are suppressed due to strong mutual interaction among the particles. The presence of frustration is of particular importance as the physics it offers is often rich, unexpectedly complicated, and continues to raise many open questions. The thesis elucidates some of these issues on a kagome lattice where strong interactions among the particles in the Mott phase impose non-trivial local constraints depending on the filling fraction on the lattice. These Mott insulators, in addition to featuring unusual magnetic and/or charge ordering, can also harbor topologically ordered states of quantum matter, e.g., resonating valence bond liquids realized in certain quantum dimer models on non-bipartite lattices. The dimer models can be regarded as low-energy effective theories for different types of bosonic models in the strong-coupling limit. Exploring this connection is a central theme of this thesis with the aim of realizing novel strongly correlated ground states. Past studies of these models have revealed the existence of various ordered and disordered phases with distinct signatures. Among these low-energy phases, the presence of a stable topological liquid at a particular point, known as Rokhsar-Kivelson point, in the phase diagram is notable. The classical versions of the dimer model are also known to have garnered a vast interest in various fields ranging from problems of pure mathematical origin to ones in physical chemistry as well as statistical physics. Pioneered by Kasteleyn, several analytical works came forward to exactly calculate the partition function of the problem from which other physical observables can be derived. Classical numerical methods are extensively applied to these models to verify the analytical predictions. We introduce a new classical algorithm here to compute the correlation functions of a classical dimer model on a square (bipartite) and a triangular (non-bipartite) lattice based on a tensor network construction. The method, called tensor network renormalization group, turns out to be a powerful tool for simulating short-ranged gapped systems as inferred from our results benchmarked against the classical Monte-Carlo technique and compared with past analytical studies. One should note that the quantum dimer model at the Rokhsar-Kivelson point can also be described as an infinite temperature canonical ensemble of classical dimers because of the particular structure of the ground state which is an equal weight superposition in the configuration manifold. The geometry of the lattice plays a pivotal role in deciding the nature of the phases that arise in the dimer models. Many physical properties of the dimer liquid phase can be extracted in the simple classical setting which certainly allows for a deep understanding of the classical models to be developed. The liquid phase is gapped on non-bipartite lattices and gapless on bipartite lattices, which is reflected in the decay of correlation functions with spatial distances. In general on non-bipartite lattices, the topological nature of the dimer liquid is characterized by a Z2 topological order which survives even when the model is perturbed away from the Rokhsar-Kivelson point. Stability of this liquid phase not only depends on the lattice geometries but notably on dimer concentrations also. In this context, we focus on a particular variant of the dimer model on a triangular lattice which is known as the quantum fully packed loop model. The model is composed of nonintersecting closed loops made of dimers and governed by the same Hamiltonian as the quantum dimer model. The loop model provides an effective low-energy description of a strongly correlated bosonic system at 1/3 filling on the kagome lattice. The corresponding Bose-Hubbard Hamiltonian consists of nearest-neighbor hopping and all possible repulsive interactions within a hexagonal plaquette. Conspicuous features of the zero-temperature phase diagram for this model include (i) presence of a stable Z2 liquid even without any Rokhsar-Kivelson potential term (in distinction to the standard quantum dimer model), and (ii) an unconventional phase transition from the liquid phase to a novel crystalline phase that has nematic order (dubbed lattice nematic). For a deeper understanding of the physics, a mapping to an Ising gauge theory is presented. The gauge theoretic description provides a useful way to predict the nature of the quantum phase transition to lie in the O(3) universality class. Finally a fermionic model at the same 1/3 filling is considered in which the ground state exhibits a number of exotic local orderings resulting from the spin-charge interplay of electrons. The Hamiltonian comprises nearest-neighbor hopping, strong on-site Coulomb interaction, and repulsive interaction terms only between nearest-neighbors. In the strong correlation limit, this fermionic problem maps to a two-color fully packed loop model – a model in which the loop segments carry an additional quantum number as color on a honeycomb lattice. The effective theory is governed by coherent three-particle ring exchanges and nearest-neighbor antiferromagnetic spin exchanges. The competition between these two leads to a phase diagram composed of a novel plaquette ordered state (known as the plaquette phase) that undergoes phase transition to a new kind of charge ordered state which we call a short loop phase. From our numerical analysis, we conclude that the plaquette phase features an unusual antiferromagnetic order with gapless spin excitations while the charge-ordered state is subjugated by spin fluctuations of localized electrons arranged in small hexagonal loops on the kagome lattice.
The description of the dynamics of strongly correlated quantum matter is a challenge, particularly in physical situations where a quasiparticle description is absent. In such situations, however, the many-body Kubo formula from linear response theory, involving matrix elements of the current operator computed with many-body wave functions, remains valid. Working directly in the many-body Hilbert space and not making any reference to quasiparticles (or lack thereof), we address the puzzle of linear in temperature (TTT-linear) resistivity seen in non-Fermi-liquid phases that occur in several strongly correlated condensed matter systems. We derive a simple criterion for the occurrence of TTT-linear resistivity based on an analysis of the contributions to the many-body Kubo formula, determined by an energy invariant ``fff function'' involving current matrix elements and energy eigenvalues that describes the dc conductivity of the system in the microcanonical ensemble. Using full diagonalization, we test this criterion for the fff function in the spinless nearest-neighbor Hubbard model and in a system of Sachdev-Ye-Kitaev dots coupled by weak single-particle hopping. We also study the fff function for the spin conductivity in the two-dimensional Heisenberg model and arrive at similar conclusions. Our work suggests that a general principle, formulated in terms of many-body Hilbert space concepts, is at the core of the occurrence of TTT-linear resistivity in a wide range of systems, and precisely translates TTT-linear resistivity into a notion of energy scale invariance far beyond what is typically associated with quantum critical points.
In this Thesis, we develop and apply an accurate method to determine the ground-state properties of strongly-correlated electrons in the framework of lattice model Hamiltonians. In lattice density-functional theory (LDFT) the basic variable is the one-particle density matrix γ. From a generalized HK theorem, the ground state energy Egs[γgs] = minγ E[γ] is obtained by minimizing the energy-functional E[γ] over all the physical or representable γ. The energy functional can be divided into two contributions: the kinetic-energy functional T [γ], which linear dependence on γ is exactly known, and the correlation-energy functional W [γ], which dependence on γ is not explicitly known. Finding accurate approximations for W [γ] constitutes the actual challenge of this thesis. Part of this work is based on previous studies which derive an approximation of W [γ] for the Hubbard Hamiltonian based on scaling hypothesis and an exact analytical results for the Hubbard dimer. However, this approach is limited to spin independent and homogeneous systems. In order to extend the scope of LDFT, we have developed three different approaches to derive W [γ] in order to study broken symmetry problems. First we extend the previous scaling functional to system having charge transfer. By a systematic study of the dependence of W [γ] on the charge distribution we find similar scaling properties as for the homogeneous case. An extension to the Hubbard model on bipartite lattices is then derived and applied to finite and infinite systems with repulsive and attractive interactions. The high accuracy of this functional is demonstrated. Nevertheless, this approach is difficult to transfer to more complex systems, since the calculation of W [γ] applies to the system as a whole. To overcome this problem, we derive another approximation based on local scaling properties. This functional is formulated on-site so that it can be applied to any ordered or disordered Hamiltonian with on-site interaction. As applications we study the metal-insulator transition in the ionic Hubbard model in oneand two-dimensions, as well as the one-dimensional Hubbard chain with first and second nearest neighbor hoppings. Finally, we develop a numerical approach of W [γ], on the basis on exact diagonalizations of an effective many-body Hamiltonian corresponding to a cluster surrounded by an effective medium. This effective Hamiltonian depends on the density matrix γ and allows to derive approximation to W [γ] which improve systematically with increasing cluster size. The formulation is spin-dependent and allows a straightforward generalization to multi-orbital correlated systems such spd-Hamiltonians. In addition it take into account the effects of short-range charge and spin fluctuations in the functional. The accuracy of the method is demonstrated for the Hubbard model by comparison with the Bethe-Ansatz solution (1D) and quantum Monte Carlo simulations (2D). Finally, an outlook or relevant future developments of the theory is provided.
I review the quantum theory of the electron moving in a random environment. First, the quantum mechanics of individual particles scattered on a random potential is discussed. The quantum-mechanical description is extended to many-body systems by using many-body Green functions. The many-body approach is used to derive the coherent-potential approximation and to show how it fits into the dynamical mean-field theory. The generating functional of the coherent-potential approximation is obtained in an analytic form from the limit to infinite dimensions of the general many-body description of non-interacting electrons in random lattices. The analytic generating functional of the mean-field description of random systems is extended to the Falicov-Kimball model with thermally equilibrated scattering lattice potential. The many-body Green functions are then used to calculate transport properties. The electrical conductivity of the coherent-potential approximation is derived from the two-particle Green function calculated in infinite spatial dimensions. Finally, a perturbation theory for the vertex corrections to the mean-field conductivity is introduced. In particular, it is shown how to make the expansion beyond the local approximations conserving.
Transport coefficients are typically divergent for quantum integrable systems in one dimension, such as a Bose gas with a two-body contact interaction. However, when a one-dimensional system is realized by confining bosons into a tight matter waveguide, an effective three-body interaction inevitably arises as leading perturbation to break the integrability. This fact motivates us to study the thermal conductivity of a Bose gas in one dimension with both two-body and three-body interactions. In particular, we evaluate the Kubo formula exactly to the lowest order in perturbation by summing up all contributions that are naively higher orders in perturbation but become comparable in the zero-frequency limit due to the pinch singularity. Consequently, a self-consistent equation for a vertex function is derived, showing that the thermal conductivity in quasi-one-dimension is dominated by the three-body interaction rather than the two-body interaction. Furthermore, the resulting thermal conductivity in the weak-coupling limit proves to be identical to that computed based on the quantum Boltzmann equation and its temperature dependence is numerically determined.
The ionic Hubbard model in a two-dimensional square lattice is revisited using determinant quantum Monte Carlo (DQMC) and numerical analytic continuation. From the dc conductivity extracted by stochastic maximum entropy of the DQMC data, we find that the band insulator induced by a staggered potential [Formula: see text] goes through a metallic phase before entering a Mott insulator as the on-site Hubbard interaction U is increased. Moreover, we map out the phase diagram in the [Formula: see text] plane, and reveal a smaller metallic region than that found in the previous studies. Our results provide a more exact location of the phase boundaries, and are an important complement to those obtained by an approximate approach.