In a large variety of systems, like the high‐temperature superconductors, the dominant parameter of the system is the on‐site Coulomb repulsion that becomes comparable with the kinetic energy in the vicinity of the metal‐insulator transition. This implies that perturbation expansions must include this interaction in the zeroth order Hamiltonian and treat the hopping term as a perturbation. Thus, one gets a situation radically different from the usual one in which the particles are initially free and needs to develop a nonstandard perturbation theory based on a cumulant expansion. In this paper, we revisit the general formalism of the cumulant expansion approach for the single band and two‐band Hubbard model, being interested in introducing a systematic way to perform approximations which take into account cooperative phenomena. As an example we analyze the effect of the charge fluctuations on the single‐particle spectral properties.
A strong-coupling expansion for the Green's functions, self-energies, and correlation functions of the Bose-Hubbard model is developed. We illustrate the general formalism, which includes all possible (normal-phase) inhomogeneous effects in the formalism, such as disorder or a trap potential, as well as effects of thermal excitations. The expansion is then employed to calculate the momentum distribution of the bosons in the Mott phase for an infinite homogeneous periodic system at zero temperature through third order in the hopping. By using scaling theory for the critical behavior at zero momentum and at the critical value of the hopping for the Mott insulator--to--superfluid transition along with a generalization of the random-phase-approximation-like form for the momentum distribution, we are able to extrapolate the series to infinite order and produce very accurate quantitative results for the momentum distribution in a simple functional form for one, two, and three dimensions. The accuracy is better in higher dimensions and is on the order of a few percent relative error everywhere except close to the critical value of the hopping divided by the on-site repulsion. In addition, we find simple phenomenological expressions for the Mott-phase lobes in two and three dimensions which are much more accurate than the truncated strong-coupling expansions and any other analytic approximation we are aware of. The strong-coupling expansions and scaling-theory results are benchmarked against numerically exact quantum Monte Carlo simulations in two and three dimensions and against density-matrix renormalization-group calculations in one dimension. These analytic expressions will be useful for quick comparison of experimental results to theory and in many cases can bypass the need for expensive numerical simulations.
This dissertation examines the impact of long-range interactions in lattice models of low-dimensional strongly correlated systems with a focus on their relevance to anomalous electronic transport. Traditionally, the Hubbard model forms the basis of theoretical and numerical investigations of strongly correlated quantum matter. This effective model constitutes the simplest model of electronic correlation and relies on an approximation that truncates electron-electron interactions to a local, on-site potential. While this approximation has proved valid in several instances, certain unexplained phenomena in correlated materials challenge us to develop new perspectives and approaches.In the first part of this thesis, we discuss the historical motivation for our current work from both a theoretical and an experimental viewpoint. In particular, we cover the discovery of bad metallic transport and the associated breakdown of Boltzmann theory of electron transport. We further review examples of strongly correlated systems that exhibit bad metallic transport and other exotic phenomena that suggest the possibility of poorly screened electronic interactions acting as a common microscopic mechanism. This general feature justifies the development of a theoretical framework that is capable of examining long-range interactions in a controlled, systematic manner.Motivated by this, we analyze a long-range interacting lattice model for spinless electrons in two dimensions via exact diagonalization on a finite cluster in real space. As this method is susceptible to finite-size errors, we discuss at length its implementation and technical details designed specifically to reduce these errors, namely the use of twisted boundary conditions and the Ewald summation. We determine the phase diagram at zero temperature and demonstrate that the long-range interactions act as a source of self-generated disorder that drives the development of a strongly correlated pseudogap phase, in a manner reminiscent of the classical Efros-Shklovskii Coulomb gap. Furthermore, we establish that this phenomenon is independent of lattice geometry, a fact that represents the broad potential of long-range interactions in giving rise to a novel form of strongly correlated behavior.Following our zero-temperature study, we address the question of whether this self-generated disorder can survive in the presence of thermal fluctuations and local Coulomb repulsion (Hubbard terms) relevant in Mott systems, a situation closer to those in experimental systems. By means of classical Monte Carlo calculations, we show that not only does the self-generated disorder survive, but that it also acts as a microscopic mechanism that generates bad metallic transport. Upon further investigation, we determine that the long-range interactions, in combination with quantum fluctuations, cause a transient localization of the charge carriers, thereby suppressing the conductivity values below those predicted in conventional Boltzmann theory, as observed experimentally.In conclusion, we have established that long-range interactions in electronic models act as a microscopic mechanism that is capable of causing exotic phenomena in numerous materials. We conclude that a proper treatment of both quantum fluctuations and long-range interactions should next be studied with the finite temperature Lanczos method, which will act as a bridge between our exact diagonalization and Monte Carlo studies. Overall, this dissertation emphasizes the capability of long-range interactions to produce novel phenomena and elicits further thought-provoking questions concerning the interplay with Mott-Hubbard physics and external disorder, crucial in metallic systems.
We derive analytical expressions for the spectral moments of the dynamical response functions of the Hubbard model using the high-temperature series expansion. We consider generic dimension
d as well as the infinite-
d limit, arbitrary electron density
n, and both finite and infinite repulsion
U. We use moment-reconstruction methods to obtain the one-electron spectral function, the self-energy, and the optical conductivity. They are all smooth functions at high temperature and, at large
U, they are featureless with characteristic widths of the order of the lattice hopping parameter
t. In the infinite-
d limit, we compare the series expansion results with accurate numerical renormalization group and interaction expansion quantum Monte Carlo results. We find excellent agreement down to surprisingly low temperatures, throughout most of the bad-metal regime, which applies for $T\ensuremath{\gtrsim}(1\ensuremath{-}n)D$, the Brinkman-Rice scale. The resistivity increases linearly in
T at high temperature without saturation. This results from the
1/T behavior of the compressibility or kinetic energy, which play the role of the effective carrier number. In contrast, the scattering time (or diffusion constant) saturates at high
T. We find that $\ensuremath{\sigma}(n,T)\ensuremath{\approx}(1\ensuremath{-}n)\ensuremath{\sigma}(n=0,T)$ to a very good approximation for all
n, with $\ensuremath{\sigma}(n=0,T)\ensuremath{\propto}t/T$ at high temperatures. The saturation at small
n occurs due to a compensation between the density dependence of the effective number of carriers and that of the scattering time. The
T dependence of the resistivity displays a kneelike feature which signals a crossover to the intermediate-temperature regime where the diffusion constant (or scattering time) starts increasing with decreasing
T. At high temperatures, the thermopower obeys the Heikes formula, while the Wiedemann-Franz law is violated with the Lorenz number vanishing as
1/T2. The relevance of our calculations to experiments probing high-temperature transport in materials with strong electronic correlations or ultracold atomic gases in an optical lattice is briefly discussed.
We discuss the physical properties of strongly correlated electron states for a linear chain obtained with the help of a recently proposed method combining an exact diagonalization in Fock space with an ab initio readjustment of single-particle orbitals in the correlated state. The method extends the current discussion of correlated states, since the properties are obtained with varying lattice spacings. The finite system of N atoms evolves with the increasing interatomic distance from a Fermi-liquid-like state into the Mott insulator. The criteria of the localization are discussed in detail, since the results are already convergent for
N> 8. During this process the Fermi-Dirac distribution is smeared out, the effective band mass increases by \ensuremath{\sim}50%, and the spin-spin correlation functions reduce to those for a Heisenberg antiferromagnet. Values of microscopic parameters such as the hopping and the kinetic-exchange integrals, as well as the magnitude of both intraatomic and interatomic Coulomb and exchange interactions are calculated. We also determine the values of various local electron-lattice couplings, and show that they are comparable to the kinetic exchange contribution in the strong-correlation limit. The magnitudes of the dimerization and the zero-point motion are also discussed. Our results provide a canonical example of a tractable strongly correlated system with a precise, first-principles description as a function of interatomic distance of a model system involving all hopping integrals, all pair-site interactions, and exact one-band Wannier functions.
At strong on-site repulsion $ U $, the fermionic Hubbard model realizes an extremely correlated electron system. In this regime, it is natural to derive the low-energy physics with the help of non-canonical operators acting on a projected Hilbert space without double occupancies. Using a strong-coupling functional renormalization group technique, we study the physics of such extreme correlations in the strict $ U = \infty $ limit, where only kinematic interactions due to the Hilbert space projection remain. For nearest-neighbor hopping on a square lattice, we find that the electronic spectrum is significantly renormalized, with bandwidth and quasi-particle residue strongly decreasing with increasing electron density. On the other hand, damping and particle-hole asymmetry increase, while a polaronic continuum forms in the hole sector, below the single-particle band. Fermi liquid phenomenology applies only at low densities, where the system remains paramagnetic. At higher densities, we find a bad metal with strong magnetic correlations, indicating that the ground state is the Nagaoka ferromagnet at high densities and a stripe antiferromagnet at intermediate densities. Both in the paramagnetic and the ferromagnetic regimes, we observe a violation of Luttinger's theorem.