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arXiv:cond-mat/0612171 · Journal of the Physical Society of Japan

Variational Monte Carlo Analysis of Hubbard Model with Confining Potential: One-dimensional Fermionic Optical Lattice Systems

Yusuke Fujihara, Akihisa Koga, Norio Kawakami

Published Mar 12, 2007• 12 citations
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Abstract

We investigate the one-dimensional Hubbard model with a confining potential, which may describe cold fermionic atoms trapped in an optical lattice. Combining the variational Monte Carlo simulations with the new stochastic reconfiguration scheme proposed by Sorella, we present an efficient method to systematically treat the ground state properties of the confined system with a site-dependent potential. By taking into account intersite correlations as well as site-dependent on-site correlations, we are able to describe the coexistence of the metallic and Mott insulating regions, which is consistent with other numerical results. Several possible improvements of the trial states are also addressed.

DOI
10.1143/jpsj.76.034716

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We investigate the one-dimensional Hubbard model with a confining potential, which may describe cold fermionic atoms trapped in an optical lattice. Combining the variational Monte Carlo simulations with the new stochastic reconfiguration scheme proposed by Sorella, we present an efficient method to systematically treat the ground state properties of the confined system with a site-dependent potential. By taking into account intersite correlations as well as site-dependent on-site correlations, we are able to describe the coexistence of the metallic and Mott insulating regions, which is consistent with other numerical results. Several possible improvements of the trial states are also addressed.
Using quantum Monte Carlo (QMC) simulations we study the ground-state properties of the one-dimensional fermionic Hubbard model in traps with an underlying lattice. Since due to the confining potential the density is space dependent, Mott-insulating domains always coexist with metallic regions, such that global quantities are not appropriate to describe the system. We define a local compressibility that characterizes the Mott-insulating regions and analyze other local quantities. It is shown that the momentum distribution function, a quantity that is commonly considered in experiments, fails in giving a clear signal of the Mott-insulating transition. Furthermore, we analyze a mean-field approach to these systems and compare it with the numerically exact QMC results. Finally, we determine a generic form for the phase diagram that allows us to predict the phases to be observed in the experiments.
We study the ground-state properties of spin-1/2 fermionic atoms confined in a one-dimensional optical superlattice with harmonic confinement by using the density-matrix renormalization group method. For this purpose, we consider an ionic Hubbard model that has superlattice potentials with two-site periodicity. We find that several different types of insulating regimes coexist even if the number of atoms at each site is not an integer, but its average within the unit cell is an integer or half integer. This is contrasted to the coexisting phase of the metallic and Mott-insulating regimes known for the ordinary Hubbard model in an optical lattice. The phase characteristics are elucidated by investigating the profiles of the atom density, the local density (spin) fluctuations, the double occupation probability, and the spin correlations in detail.
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.
Using quantum Monte Carlo (QMC) simulations we study the ground state properties of the one‐dimensional fermionic Hubbard model in traps with an underlying lattice. We show that this model displays quantum critical behavior at the boundaries of the local Mott‐insulating regions. A local compressibility defined to characterize the Mott‐insulating phase has a non‐trivial critical exponent. Both the local compressibility and the variance of the local density show universality with respect to the confining potential. We study the momentum distribution function and we find that it is not appropriate to characterize the transitions in the system.
We investigate the Mott transition in a two-dimensional two-orbital Hubbard model on a square lattice at half filling by using the variational Monte Carlo method. As a variational trial wave function, we consider Gutzwiller's on-site correlations and nearest-neighbor doublon-holon correlations. We calculate the ground-state energy and the other physical quantities, all of which clearly signal a first-order Mott transition. We thus obtain the phase diagram at zero temperature, where we find the coexistence region of the metal and the Mott insulator. We discuss how Hund's coupling affects the nature of the Mott transition in this system.
We study the ground state properties of ultracold fermions trapped in a one-dimensional double-well optical lattice by using the density-matrix renormalization group method. The system is described by an extended Hubbard model with alternating hopping integrals and an external harmonic confining potential. We clarify the characteristic features of the metal–insulator phase transition originating from the double-well structure of the lattices. Several different types of insulating regions coexist when the number of atoms at each site is an integer or a half integer. We found that each insulating phase except for a band insulator exhibits rather large local density fluctuations, reflecting the strong dimerization of atoms within the unit cells of double-well lattices. The phase characteristics are elucidated in detail by investigating the profiles of the local density of atoms, the local density (spin) fluctuations, the double-occupancy probability and the spatially extended sp in correlations.