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Quantum simulation of the two-site Hubbard Hamiltonian

Filipe V. Melo, Alexandre M. Souza, Ivan S. Oliveira, Roberto S. Sarthour

Published Dec 4, 2020• 2 citations
Publisher

Abstract

We present an experimental quantum simulation of the two-site Hubbard Hamiltonian, using the NMR technique. By varying the ratio between the Coulomb interaction U and the kinetic energy Jh (U/Jh), it was possible to observe changes in the behavior of the system, showing that the simulation carries the physics of the Hubbard model, such as the occurrence of an analog of the crossover from a metallic to a Mott-insulator regime in the limit U ​≫Jh. The experimental results were compared with the theoretic predictions, showing good fidelity. The problem is relevant to the areas of Quantum Computation and Solid State Physics, and establishes a possible new approach to treat the model.

DOI
10.1016/j.physo.2020.100053

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We present an experimental quantum simulation of the two-site Hubbard Hamiltonian, using the NMR technique. By varying the ratio between the Coulomb interaction U and the kinetic energy Jh (U/Jh), it was possible to observe changes in the behavior of the system, showing that the simulation carries the physics of the Hubbard model, such as the occurrence of an analog of the crossover from a metallic to a Mott-insulator regime in the limit U ​≫Jh. The experimental results were compared with the theoretic predictions, showing good fidelity. The problem is relevant to the areas of Quantum Computation and Solid State Physics, and establishes a possible new approach to treat the model.
The Quantum Monte Carlo simulations of the ionic Hubbard model on a two-dimensional square lattice at half filling were performed. The method based on the direct-space, proposed by Suzuki and al., Hirsch and al., was used. Cycles of increasing and decreasing values of the Coulomb interaction $ U $ were performed for fixed temperature ($ kT=0.01 $). Results indicate that, at low temperature, the two insulator phases are separated by a metallic phase for weak to intermediate values of the staggered potential $ Δ$. For large Coulomb repulsion the system is in a Mott insulator with an antiferromagnetism order. On increasing and decreasing the Coulomb interaction $ U $ the metal-Mott insulator transition shows an hysteresis phenomenon while the metal-band insulator transition is continue. For large $ Δ$ it seems that the metallic region shrinks to a single metallic point. However, the band insulator to the Mott insulator transition is not direct for the studied model. A phase diagram is drawn for the temperature $ kT=0.01 $. For $ Δ=0.5 $ cycles of increasing and decreasing temperature were programmed for different values of the Coulomb interaction $ U $ . A behaviour change appears for $ U\simeq 1.75 $. This suggests that a crossover line divides the metallic region of the phase diagram.
The single-band Hubbard Hamiltonian [1] is the simplest model of interacting electrons in a lattice.It was developed by John Hubbard, who introduced the model to take into account the local electronic correlations in narrow energy bands.The model has a kinetic term that allows hopping of electrons between atomic sites and a term that considers the on-site interaction between electrons.This model is largely used in solid state physics to study magnetic properties of solids, insulator-metal transition (Mott transition) and high temperature superconductors.However, this is a problem that has exact analytical solution in a very few limiting cases and must be treated approximately or numerically.In this work, we propose a new methodology to analytically solve the Hubbard Hamiltonian, mapping it into a two-site model (the Hubbard dimer).To obtain the Green's function for the lattice, we employed the cumulant expansion technique, using as a 'seed' the exact two-site Green's function (the atomic method) [2].From the Green's function, we obtained the density of states [DOS] and the occupation numbers as functions of the external parameters of the model, and compared the results with the Hubbard I approximation [1].
The Bose–Hubbard model provides an excellent platform for exploring exotic quantum coherence. Interaction blockade is an important fundamental phenomenon in the two-site Bose–Hubbard system (BHS), which gives a full quantum description for the atomic Bose–Josephson junction. Using the analogy between the two-site BHS and the quadrupolar nuclear magnetic resonance (NMR) crystal, we experimentally simulate a two-site Bose–Hubbard system in a NMR quantum simulator composed of the quadrupolar spin-3/2 sodium nuclei of a NaNO 3 single crystal, and observe the interesting phenomenon of interaction blockade via adiabatic dynamics control. To our best knowledge, this is the first experimental implementation of the quantum simulation of the interaction blockade using quadrupolar nuclear system. Our work exhibits important applications of quadrupolar NMR in the quantum information science, i.e. a spin-3/2 system can be used as a full 2-qubit su(4) system, if the quadrupole moment is not fully averaged out by fast tumbling in the liquid phase.
The Quantum Monte-Carlo simulations of the two-dimensional Hubbard model are presented for the half filling. The method based on the direct-space proposed by Suzuki and al., and Hirsch and al. was used. The states generated by this method are basis states in occupation number representation built with Wannier states localised on each site of the square array. The configurations of fermions can be observed on the real 2D array. An antiferromagnetic factor is defined and calculated for each temperature. The curves of energy, specific heat, conducivity and antiferromagnetic factor are presented for different values of the repulsive coulombian on site interaction U. There is a metal-insulator transition at low temperature for small values of U. This transition corresponds with a paramagnetic-ferromagnetic first order transition. Indeed, for these interaction values, the energy curves show a gap which is a characteristic of a first order transition. An hysteresis phenomenon appears on the conductivity curves. There is a behaviour change for U/t=3.5. For the values U>3.5 there is ferromagnetic-paramagnetic change without observable effect on the energy and the specific heat. The metal-insulator transition does not exist any more, the conductivity stays very small. Isotherms of the physical quantities versus U/t show a transition which seems to be the metal-insulator Mott transition. These results allow to draw a phase diagram with two first order transition lines.
We propose a device for studying the Fermi-Hubbard model with long-range Coulomb interactions using an array of coupled quantum dots defined in a semiconductor two-dimensional electron-gas system. Bands above the lowest energy band are used to form the Hubbard model, so that a high average electron density may be used to implement the device. We find that depending on the average electron density, the system is well described by a one- or two-band Hubbard model. Our device design enables the control of the ratio of the Coulomb interaction to the kinetic energy of the electrons independently to the filling of the quantum dots, such that a large portion of the Hubbard phase diagram may be probed. Estimates of the Hubbard parameters suggest that a metal-Mott insulator quantum phase transition and a ddd-wave superconducting phase should be observable using current technologies.
We present a phase-space method for the Bose-Hubbard model based on the Q-function representation. In particular, we consider two model Hamiltonians in the mean-field approximation; the first is the standard "one site" model where quantum tunneling is approximated entirely using mean-field terms; the second "two site" model explicitly includes tunneling between two adjacent sites while treating tunneling with other neighbouring sites using the mean-field approximation. The ground state is determined by minimizing the classical energy functional subject to quantum mechanical constraints, which take the form of uncertainty relations. For each model Hamiltonian we compare the ground state results from the Q-function method with the exact numerical solution. The results from the Q-function method, which are easy to compute, give a good qualitative description of the main features of the Bose-Hubbard model including the superfluid to Mott insulator. We find the quantum mechanical constraints dominate the problem and show there are some limitations of the method particularly in the weak lattice regime.