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Bulletin of the American Physical Society

Determinantal Quantum Monte Carlo simulations of fermions in optical lattices

Thereza Paiva

Published Mar 22, 2013• 0 citations
OpenAlex

Abstract

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.

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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.
The Fermi-Hubbard model is a key concept in condensed matter physics and provides crucial insights into electronic and magnetic properties of materials. Yet, the intricate nature of Fermi systems poses a barrier to answering important questions concerning d-wave superconductivity and quantum magnetism. Recently, it has become possible to experimentally realize the Fermi-Hubbard model using a fermionic quantum gas loaded into an optical lattice. In this atomic approach to the Fermi-Hubbard model, the Hamiltonian is a direct result of the optical lattice potential created by interfering laser fields and short-ranged ultracold collisions. It provides a route to simulate the physics of the Hamiltonian and to address open questions and novel challenges of the underlying many-body system. This review gives an overview of the current efforts in understanding and realizing experiments with fermionic atoms in optical lattices and discusses key experiments in the metallic, band-insulating, superfluid, and Mott-insulating regimes.
The present thesis is devoted to the study of physical phenomena emerging from strong correlations in strongly interacting quantum many-body systems with several components. Hubbard models are widely used as minimal models which take into account the interactions between particles and they have been studied in relation to phenomena such as Mott localization, unconventional superconductivity, quantum magnetism and many others. All of these striking phenomena share their origin from the strong correlations among fermions induced by their mutual interactions. Furthermore, condensed matter models are usually realized only in an approximate fashion in actual solid-state systems, making the situation all the more puzzling and hard to be treated analytically or numerically. Therefore, a great effort has been performed to simulate Hubbard models in a system of atoms cooled down to ultra low temperatures and trapped in optical lattices. The most peculiar feature of cold atoms experiments consists in the possibility of tuning relevant physical parameters of the systems, as the density or the interactions among atoms, using laser and/or magnetic fields. This paved the way to the observation of fundamental quantum states of matter as the weakly interacting Bose-Einstein condensate, the super fluid to Mott insulator transition, the super fluid BEC-BCS crossover, the Mott transition in systems of composite fermions and so on. Hence, it is considered of great interest establishing connections between the quantum simulations cold atomic toolbox and systems realized in solid-state physics...
Cold atoms in optical lattices offer an exciting new laboratory where quantum many-body phenomena can be realized in a highly controlled way. They can even serve as quantum simulators for notoriously difficult problems like high-temperature superconductivity. This review is focussed on the recent developments and new results in multi-component systems. Fermionic atoms with SU(N) symmetry have exotic superfluid and flavor-ordered ground states. We discuss symmetry breaking, collective modes, and detection issues, e.g. in Bragg scattering. On the other hand, bosonic multiflavor ensembles allow for engineering of spin Hamiltonians which are interesting from a quantum computation point of view. Finally, we address the role of disorder in optical lattices. Fermionic atoms experience Anderson localization at sufficiently strong disorder. Interactions among the atoms induce a competing tendency towards delocalization. We present a complete phase diagram obtained within dynamical mean-field theory and discuss experimental observability of the Mott and Anderson phases.
Over the past few decades, quantum simulation with ultracold atoms in optical lattices has proven to be a useful tool for understanding many-body Hamiltonians.One of its primary directions is the experimental study of the Fermi Hubbard Model (FHM), which aims to capture the fundamental properties of cuprate superconductors and has produced a wide range of intriguing phenomena, including the metal-to-Mott insulator transition, antiferromagnetism, strange metallicity, pseudogap physics, and is frequently used in the study of superconductivity. In recent years, new kinds of quantum simulators have emerged, and in particular we focus on two of them: 1) quantum simulators that study high symmetry fermions in optical lattices, and 2) optical tweezer arrays which provide a bottom-up approach to engineering the FHM. The first class of emerging quantum simulators utilizes alkaline-earth-like atoms (AEA’s) – which have large nuclear spin I (such as 173Yb and 87Sr) – to engineer the SU(N = 2I +1) symmetric FHM, where N = 2,..., 10. The second class corresponds to quantum simulators based on optical tweezer arrays which combine deterministic single tweezer ground state loading and tunneling coupled sites. Both classes of quantum simulators are interesting on their own. For example, the SU(N) FHM is generating a lot of interest due to its connections to multiorbital solid state systems and theoretical predictions of rich phase diagrams which exhibit exotic phases of matter, including unusual ones like spin liquids. On the other hand, optical tweezer arrays have gained a lot of attention since they can be used to study arbitrary geometries and access very low-entropy samples. This thesis reports on the numerical study of both quantum simulation architectures. Results of the SU(N) FHM at finite temperature, for different fillings and interaction strengths that span the non-interacting to the strongly interacting limit are obtained using Determinant Quantum Monte Carlo, Exact Diagonalization, and Numerical Linked Cluster Expansion. In particular, we focus on how thermodynamic and magnetic observables, such as the number of on-site pairs, energy, entropy, spin correlations, and structure factors depend on N, the interaction strength U/t, temperature T/t, and the anisotropy of tunneling rates. Our results demonstrate that in a homogeneous square lattice with one particle per site on average, thermodynamic observables as a function of temperature obey a universal scaling with N, and that short-range antiferromagnetic correlations are stronger for larger N and in lower dimensions. In addition, we present theory-experiment comparisons where possible, where we perform thermometry and provide a precise characterization of the equation of state of the SU(N) FHM. Our results emerge as a tool to perform thermometry in experiments from theory-experiment comparison and also provide guidance for future experiments with AEAs in optical lattices. Additionally, we present calculations using numerically precise discrete variable representation methods for two-dimensional stroboscopic tweezer arrays and compare the outcomes with experimental data. We quantify the effects of stroboscopic potentials on Hubbard parameters like the interaction strength U and the tunneling t in optical tweezer arrays and illustrate how heating from the stroboscopic potential relies on strobe frequency. Our calculations enable evaluation and optimization of two-dimensional tweezer array experiments. An important milestone of the results of this thesis corresponds to the record temperatures and entropies achieved with these quantum simulation architectures: 1) the coldest fermions ever created in nature in absolute temperature and in cold atoms, and 2) the lowest entropy per particle fermions ever created, albeit in a so-far small system.
The advancement in the eld of cold-atoms has generated a lot of interest in the condensed matter community. Cold-atom experiments can simulate clean, disor-der/impurity free systems very easily. In these systems, we have a control over various parameters like tuning the interaction between particles by the Feshbach resonance, tuning the hopping between lattice sites by laser intensity and so on. As a result, these systems can be used to mimic various theoretical models, which was hindered because of various experimental limitations. Thus, we have an ex-perimental tool in which we can start with a simple theoretical model and later tune the model experimentally and theoretically to simulate the real materials. This will be helpful in studying the physics of the real materials as we can control interactions as well as the impurities can also be taken care of. But the advance-ment in the eld of cold atoms has seen a roadblock for the fermions in optical lattices. The super uid and anti-ferromagnetic phases has not been achieved for fermions in optical lattices due to the \cooling problem (entropy issues). In this thesis, we have addressed the issue of the \cooling problem for fermions in optical lattice systems and studied the system with determinant quantum Monte Carlo technique. We start by giving a general idea of cold-atoms and optical lat-tice potentials, and a brief review of the experimental work going on in the cold-atomic systems. Experimental limitations like \fermionic cooling problem have been discussed in some detail. Then we proposed a bilayer band-insulator model to circumvent the \entropy problem and simultaneously increasing the transi-tion temperature for fermions in optical lattices. We have studied the attractive Hubbard model, which is the minimal model for fermions in optical lattices. The techniques that we have used to study the model are mean- eld theory, Gaussian uctuation theory and determinant quantum Monte Carlo numerical technique. . Chapter-1 : provides a general introduction to the ultra-cold atoms, optical lattice and Feshbach resonance. In this chapter we have discussed about cold-atom experiments in optical lattice systems. Here, we have brie y discussed the control over various parameters in the experiments. The goal of these experiments is to realize or mimic many many-body Hamiltonians in experiments, which until now was just a theoretical tool to describe various many-body physics. In the end we give a brief idea for introducing disorder in the cold-atom experiments discuss the limitations of these experiments in realizing the \interesting super uid and anti-ferromagnetic phases of fermionic Hubbard model in optical lattices. Chapter-2 : gives a brief idea of \Determinant Quantum Monte-Carlo (DQM C) technique that has been used to study these systems. In this chapter we will discuss the DQM C algorithm and the observables that can be calculated. We will discuss certain limitation of the DQM C algorithm like numerical instability and sign problem. We will brie y discuss how…
We study, using quantum Monte Carlo simulations, the bosonic Kondo-Hubbard model in a two-dimensional square lattice. We explore the phase diagram and analyze the mobility of particles and magnetic properties. At unit filling, the transition from a paramagnetic Mott insulator to a ferromagnetic superfluid appears continuous, contrary to what was predicted with mean field. For double occupation per site, both the Mott insulating and superfluid phases are ferromagnetic and the transition is still continuous. Multiband tight-binding Hamiltonians can be realized in optical lattice experiments, which offer not only the possibility of tuning the different energy scales over wide ranges, but also the option of loading the system with either fermionic or bosonic atoms.