Many of the most exciting materials and phenomena being studied today, from oxide heterostructures to topological insulators or iron-based superconductors, are the ones in which an understanding of how quantum particles interact with each other is essential. In the last decade, the development and the improvement of quantum Monte Carlo algorithms combined with the increased power of computers has opened the way to the exact simulation of Hamiltonians that include various types of interactions, such as inter-species conversion terms or ring-exchange terms. Simultaneously, developments made in the field of optical lattices, laser cooling and magneto/optical trapping techniques have led to ideal realizations of such Hamiltonians. A wide variety of phases can be present, including Mott insulators and superfluids, as well as more exotic phases such as Haldane insulators, supersolids, counter-superfluids, or the recently proposed Feshbach insulator. These experimental realizations of the various forms of the Hubbard model can have interesting applications, in particular they provide a possible way of performing quantum computing, and have also given rise to a new field known as Atomtronics, the equivalent of Electronics where the carriers are replaced by atoms. I will illustrate these ideas with examples of Hamiltonians that have been studied and some results. In order to study these systems, it is crucial to identify the various phases that are present, which can be characterized by a set of order parameters. Of particular importance in this task is the superfluid density. It is well known that the superfluid density can be related to the response of the free energy to a boundary phase twist, or to the fluctuations of the winding number. However, these relationships break down when complex interactions are involved. To address this problem, I will propose a general expression of the superfluid density, derived from real and thought experiments. I will discuss two interesting applications of my method to the SF transition of softcore bosons with 2nd neighbor hopping and to atom-molecule mixtures.
Many of the most exciting materials and phenomena being studied today, from oxide heterostructures to topological insulators or iron-based superconductors, are the ones in which an understanding of how quantum particles interact with each other is essential. In the last decade, the development and the improvement of quantum Monte Carlo algorithms combined with the increased power of computers has opened the way to the exact simulation of Hamiltonians that include various types of interactions, such as inter-species conversion terms or ring-exchange terms. Simultaneously, developments made in the field of optical lattices, laser cooling and magneto/optical trapping techniques have led to ideal realizations of such Hamiltonians. A wide variety of phases can be present, including Mott insulators and superfluids, as well as more exotic phases such as Haldane insulators, supersolids, counter-superfluids, or the recently proposed Feshbach insulator. These experimental realizations of the various forms of the Hubbard model can have interesting applications, in particular they provide a possible way of performing quantum computing, and have also given rise to a new field known as Atomtronics, the equivalent of Electronics where the carriers are replaced by atoms. I will illustrate these ideas with examples of Hamiltonians that have been studied and some results. In order to study these systems, it is crucial to identify the various phases that are present, which can be characterized by a set of order parameters. Of particular importance in this task is the superfluid density. It is well known that the superfluid density can be related to the response of the free energy to a boundary phase twist, or to the fluctuations of the winding number. However, these relationships break down when complex interactions are involved. To address this problem, I will propose a general expression of the superfluid density, derived from real and thought experiments. I will discuss two interesting applications of my method to the SF transition of softcore bosons with 2nd neighbor hopping and to atom-molecule mixtures.
A major focus in condensed matter physics is to study the origin of exotic quantum phases such as coexistent and inhomogeneous phases, quantum criticality, and secondary ordered phases close to quantum critical points. Exotic phenomena in strongly correlated systems occur due to competing complex interactions of spin, charge, lattice, and orbital degrees of freedom. Complex quantum phases in strongly correlated systems are challenging, but they might be very useful due to their possible functionality to make advance devices. In order to understand, utilize, and optimize such behaviors, we need to improve our understanding of these systems. Studies in cold atom systems are of interest since cold atom experiments provide a control on model parameters. In this thesis, we use novel analytical and computational techniques to treat strongly interacting bosonic systems. Taking advantage of the very versatile quantum Monte Carlo Stochastic Green Function algorithm, we studied several interesting problems. First, we explore a recently developed new confining method for cold atoms on optical lattices. Atoms are confined via a hopping integral that decreases as a function of the distance from the center of the lattice. This method might lead to lower temperatures than existing diagonal confinement methods. Next, we study the ground state phase diagram of interacting bosons on a ring-shape lattice with a region of weak hopping integrals. The model, an extension of the well known Bose-Hubbard model, develops a novel local Mott phase in addition to the usual Mott and superfluid phases in the homogeneous system. This might provide a new insight to the description of atomtronics applications. Finally, we study the two species Bose Hubbard model in a two-dimensional lattice. This model presents novel phases due to the complexity associated with multiple species. Its phase diagram shows ordered and coexistence phases including a ferromagnetic phase separated phase with high entropy. This phase might be accessible experimentally. The novel phases found from our studies are linked to experiments on ultra-cold atoms trapped by laser beams.
Two models are discussed here to illustrate the quantum many-body phenomena in mixtures of ultra-cold atoms in optical lattices. The first model describes a mixture of two species of bosonic atoms of equal masses in optical lattices and the second describes a mixture of heavy bosonic atoms and light fermionic atoms in optical lattices. For both models, we assume the trap is present and use parameters typical in experiment. For the first model, the discussion is aimed at providing a thorough description of the collective behavior of the binary mixture in various interaction regions, with emphasis on two many-body phenomena, pairing and anti-pairing, as a result of the inter-species interaction. The pairing leads to a new type of superfluid order, called the paired superfluid (PSF) and the anti-pairing leads to another type of superfluid order, called the counter-flow superfluid (CFSF). In addition, we discuss the coexistence of charge density wave order with the three superfluid orders in the strong interaction region. We use both Luttinger liquid theory and the time evolving block decimation (TEBD) method to study this model in one dimension. The discussion is organized in three parts: the phase diagram and the correlation functions; the noise correlation functions; and the transport properties. Two phase diagrams are constructed to map the different orders in the parameter space. The correlation functions, include noise correlations, are carefully examined for the determination of the orders and for possible detection methods. In the end, the transport properties of the PSF and CFSF orders are studied through the dipole oscillation induced by trap displacement. For the second model, examining a mixture of heavy bosons and light fermions, the discussion is oriented toward determining the thermal properties of the mixture for attractive inter-species interactions. This work is motivated by experiments creating artificial molecules through optical and magnetic control of ultra-cold atoms. We use the strong coupling (SC) expansion method to evaluate the density profile, the onsite inter-species correlations, the density fluctuations and the entropy per particle. Analytical expressions are derived for all the quantities above as well as the partition function. To benchmark the accuracy, the SC calculations are compared with inhomogeneous dynamical mean field theory (IDMFT) and Monte Carlo (MC) simulation. From the calculations, we find that 1) the efficiency of creating pre-formed molecules is significantly increased by confining the mixtures onto optical lattices; 2) the temperature of the mixtures in optical lattices can be reliably estimated through the density gradient and the density fluctuations.
The Bose-Hubbard model describes the physics of a system of bosonic ultracold atoms in an optical lattice, in which a phase transition is present between a superfluid phase and a Mott insulator one. \nThe exact solution of this Hamiltonian is only feasible to find the ground-state of small systems, while other techniques (as mean-field schemes or quantum Monte Carlo) are necessary to study systems of larger size. \n \nAs a first application, we study the trapped model - relevant for the comparison with current experiments - through an inhomogeneous mean-field scheme. We describe some signatures of the phase crossover between superfluid and Mott insulator. In particular, the visibility of the quasimomentum distribution shows some kinks as a function of the lattice depth; we describe these features and we link them with the ones observed in other works in the literature. \n \nAs a second application, we use quantum Monte Carlo techniques to study the one-dimensional Bose-Hubbard model with long-range interactions and we focus on the appearance of the Haldane insulating phase, distinguishable from the Mott one through the presence of non-local hidden order. \nNon-local correlation functions are also used to describe the difference between the superfluid phase and the Mott insulator one.
This thesis is divided into two parts. In the first part we study quantum phases in bosonic systems in an optical lattice by using numerical unbiased Quantum Monte Carlo (QMC) method. Ultracold atoms experiments in optical lattices provide a possibility to simulate the materials of condensed matter in a clean and well-controled way. We focus on two components bosonic systems where exotic phases such as pair-superfluid and pair-supersolid appear. In the second part we provide numerical methods based on QMC simulations to study the entanglement properties of strong correlated systems. By employing the replica trick, we reconstruct the entanglement spectrum from the Renyi entropies. Furthermore, we study the trace of the power of the partial transposed reduced density matrix, which is related to the entanglement measurement negativity for mixed states. In the following we briefly summarize each chapter. In Chapter 1 we very briefly introduce the cold atom systems and the connection with QMC simulations. In Chapter 2 we review the QMC method based on the path integral (world line) representation. We focus on the directed worm algorithm which is an efficient algorithm with global updtae for bosonic and spin systems. All the following methods in this thesis – the method of two component bosonic systems, the reconstruction of entanglement spectrum and the measuring of partial transposed quantities, are based on directed worm algorithm introduced in this chapter. In Chapter 3 we discuss two component bosons in a square lattice. We show that the interspecies attraction and nearest-neighbor intraspecies repulsion result 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 Kosterlitz-Thouless transition, then the solid order melts via an Ising transition. In Chapter 4 we represent a new method to reconstruct a subset of the entanglement spectrum of quantum many body systems by QMC, where the method can in principle be applied to two or higher dimension. The approach builds on the replica trick to evaluate particle number resolved traces of the first n of powers of a reduced density matrix. From this information we reconstruct first n entanglement spectrum levels using a polynomial root solver. We illustrate the power and limitations of the method by an application to the extended Bose-Hubbard model in one dimension where we are able to resolve the quasidegeneracy of the entanglement spectrum in the Haldane-insulator phase. In general, the method is able to reconstruct the largest few eigenvalues in each symmetry sector. In Chapter 5 we devise a Quantum Monte Carlo (QMC) method to calculate the moments of the partially transposed reduced density matrix at finite temperature. These are used to construct scale invariant combinations that are related to the negativity, a true measure of entanglement for two intervals embedded in a chain. In particular, we study several scale invariant combinations of the moments for the 1D hard-core boson model. For two adjacent intervals unusual finite size corrections are present, showing parity effects that oscillate with a filling dependent period. For large chains we find perfect agreement with conformal field theory (CFT) calculations. Oppositely, for disjoint intervals corrections are more severe and CFT is recovered only asymptotically. Furthermore, we provide evidence that their exponent is the same as that governing the corrections of the mutual information. Additionally we study the 1D Bose-Hubbard model in the superfluid phase. The finite-size effects are smaller and QMC data are already in impressive agreement with CFT at moderate large sizes.
Confinement of atoms by laser technology has opened up a new field of physics. Following the realization of Bose– Einstein condensation (BEC) of bosonic atoms, fermionic atom systems and even boson–fermion mixture systems were successfully trapped and cooled. Application of a periodic potential, so called optical lattice, could also unveil interesting nature of the atoms. One of the interesting phenomena of the atoms on optical lattice is Mott transition. Although there is a long history of the study on bosons or fermions on lattice, coexistence of bosons and fermions on lattice is a rather new topic to study. In particular, we have little knowledge about strongly-correlated bosons and fermions on lattice. In our previous works we performed numerical simulations of Bose–Fermi mixtures to clarify the phase diagram and the effect of the confinement potential. When the total number of bosonic and fermionic atoms per site takes an integer value and interatomic interactions are sufficiently strong, the system would undergo Mott transition where the local atom density is fixed to the integer value. A characteristic of this Mott insulating phase is that a boson and fermion located next to each other can exchange their positions by going through a virtual doubly-occupied state with the atom exchange energy t ’ tbtf=Ubf where tb and tf are the hopping energy of the bosons and fermions respectively and Ubf denotes the on-site interaction between the boson and the fermion. Although there still remain a number of open questions on the Mott state of Bose–Fermi mixtures, the property of superfluid state of the strongly-correlated bosons and fermions has yet to be revealed. In this short note we would like to focus on strongly-correlated Bose–Fermi mixtures at commensurate filling in a three-dimensional periodical potential and see characteristic behaviors, if any, of the superfluid phase close to the phase boundary to the Mott insulating phase. In the following analysis we assume uniformity of the system and thus neglect the possibility of the emergence of so-called supersolid where superfluidity and structural long-range order coexist. For simplicity we ignore all the internal degree of freedom of the atoms and the influence of the trap potential which in fact creates a nonuniform density profile of the bosons and fermions. For the system at commensurate filling on optical lattice, we assume that the interatomic interactions are weak enough to avoid formation of Mott state but strong enough to allow us to expect that there are only few empty or doublyoccupied sites and most sites are singly occupied. Namely we analyze the system that stays in a superfluid phase but lies close to the boundary to the Mott phase. Since a boson and fermion located next to each other can exchange their positions as stated above, the energy of the superfluid state of the mixture system is given mostly by the kinetic energy of the bosons and fermions exchanging their positions. We therefore express the Hamiltonian in the following form, ignoring the kinetic energy of the atoms at the empty sites and the interaction energy at the doubly-occupied sites:
The ability to cool fermions in optical lattices to ultra cold temperatures has led to an interdisciplinary area of research, that has attracted a lot of attention in recent years. An interesting development in this area is the possibility to realize models for strongly correlated fermions in the laboratory, such as the fermionic Hubbard Model. Determinantal Quantum Monte Carlo simulations have proven to be an important tool in the study of fermionic atoms. Nonetheless, it is important to compare the results and efficiency of different methods. Here comparisons with Numerical Linked Cluster Expansion and Dynamical Mean Field Theory data for double occupation and short range correlations, both relevant to current optical lattice experiments, will be presented and discussed. Another topic relevant in the context of optical lattice experiments is the study of metal insulator transitions. Indeed, the Mott insulating phase has been realized and observed in two-flavor mixtures of fermionic atoms loaded on optical lattices, being characterized both by the double occupation and the compressibility. An interesting point that has been addressed in the literature over the years is whether the same fermion-fermion interaction, responsible for the Mott insulating state, could drive an insulating system metallic. Here we show that, when fermions are loaded in optical lattices with spatially varying interactions a correlation induced Mott insulator to metal transition can take place. The spatial modulation of the interactions was recently demonstrated and opens the possibility for the experimental realization of such exotic phases.