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arXiv:2207.06588 · Physical review. B./Physical review. B

Finite-temperature properties of extended Nagaoka ferromagnetism: Ordering processes and precursor of a quantum phase transition between itinerant ferromagnetic and Mott antiferromagnetic states

Hiroaki Onishi, Seiji Miyashita

Published Oct 28, 2022• 2 citations
arXivHTMLPDF

Abstract

We study finite-temperature properties of a Hubbard model including sites of a particle bath, which was proposed as a microscopic model to show itinerant ferromagnetism at finite electron density. We use direct numerical methods, such as exact diagonalization and random vector methods. The temperature dependence of quantities is surveyed in the full range of the temperature. We find that the specific heat has several peaks, which correspond to ordering processes in different energy scales. In particular, magnetic correlations develop at very low temperature. The system exhibits an itinerant ferromagnetic state or an antiferromagnetic state of the Mott insulator depending on the chemical potential of the particle bath and the Coulomb interaction. From a microscopic viewpoint, the competition between these two types of magnetic states causes a peculiar ordering process of local spin correlations. Some local ferromagnetic correlations are found to be robust, which indicates that the ferromagnetic correlation originates from the motion of itinerant electrons in a short-range cluster.

DOI
10.1103/physrevb.106.134436

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We study finite-temperature properties of a Hubbard model including sites of a particle bath, which was proposed as a microscopic model to show itinerant ferromagnetism at finite electron density. We use direct numerical methods, such as exact diagonalization and random vector methods. The temperature dependence of quantities is surveyed in the full range of the temperature. We find that the specific heat has several peaks, which correspond to ordering processes in different energy scales. In particular, magnetic correlations develop at very low temperature. The system exhibits an itinerant ferromagnetic state or an antiferromagnetic state of the Mott insulator depending on the chemical potential of the particle bath and the Coulomb interaction. From a microscopic viewpoint, the competition between these two types of magnetic states causes a peculiar ordering process of local spin correlations. Some local ferromagnetic correlations are found to be robust, which indicates that the ferromagnetic correlation originates from the motion of itinerant electrons in a short-range cluster.
Inspired by the Nagaoka ferromagnetism, we propose an itinerant model to study the transition between the Mott singlet state and a ferromagnetic state by emulating a doping process in finite lattices. In the Nagaoka ferromagnetism, the total spin of the system takes the maximum value when an electron is removed from the half-filled system. To incorporate a procedure of the electron removal, our model contains extra sites as a reservoir of electrons, and the chemical potential of the reservoir controls the distribution of electrons. As a function of the chemical potential, the system exhibits ground-state phase transitions among various values of the total spin, including a saturated ferromagnetic state due to the Nagaoka mechanism at finite hole density. We discuss the nature of the ferromagnetism by measuring various physical quantities, such as the distribution of electrons, the spin correlation functions, the magnetization process in the magnetic field, and also the entanglement entropy.
The Kagome lattice Fermi-Hubbard model is one of the most physically rich, and at the same time most challenging, models to study in strongly-correlated physics. Among its special features are geometric frustration and a flat energy band that create conditions favorable to ferromagnetism near the band insulating limit. Here, we utilize two exact finite-temperature methods, the numerical linked-cluster expansion and the determinant quantum Monte Carlo, to study the extent as well as doping and interaction dependence of ferromagnetic correlations and other thermodynamic properties of the model. We find that repulsive interactions enhance ferromagnetic correlations at high electron densities and that increasing the interaction strength, extends the region with strong ferromagnetic correlations towards half filling, smoothly connecting it to Nagaoka ferromagnetism near the Mott insulating region. We also use the charge compressibility to obtain an accurate estimate for the critical interaction strength for the metal-insulator transition at half filling. These results improve our understanding of the magnetic tendencies of the model away from half filling and pave the way for further studies, including with ultracold atoms in optical lattices.
The microscopic mechanism of itinerant ferromagnetism is a long-standing problem due to the lack of non-perturbative methods to handle strong magnetic fluctuations of itinerant electrons. We have non-pertubatively studied thermodynamic properties and magnetic phase transitions of a two-dimensional multi-orbital Hubbard model exhibiting ferromagnetic ground states. Quantum Monte-Carlo simulations are employed, which are proved in a wide density region free of the sign problem usually suffered by simulations for fermions. Both Hund's coupling and electron itinerancy are essential for establishing the ferromagnetic coherence. No local magnetic moments exist in the system as a priori, nevertheless, the spin channel remains incoherent showing the Curie-Weiss type spin magnetic susceptibility down to very low temperatures at which the charge channel is already coherent exhibiting a weakly temperature-dependent compressibility. For the SU(2) invariant systems, the spin susceptibility further grows exponentially as approaching zero temperature in two dimensions. In the paramagnetic phase close to the Curie temperature, the momentum space Fermi distributions exhibit strong resemblance to those in the fully polarized state. The long-range ferromagnetic ordering appears when the symmetry is reduced to the Ising class, and the Curie temperature is accurately determined. These simulations provide helpful guidance to searching for novel ferromagnetic materials in both strongly correlated ddd-orbital transition metal oxide layers and the ppp-orbital ultra-cold atom optical lattice systems.
A wide variety of experimental platforms, ranging from semiconductor quantum-dot arrays to moiré materials, have recently emerged as powerful quantum simulators for studying the Hubbard model and its variants. Motivated by these developments, here, we investigate a generalization of the Hubbard model which includes the effects of long-range Coulomb interactions. Working on finite-sized two-dimensional square and triangular lattices, we use exact diagonalization and density-matrix renormalization group calculations to probe the magnetic structure of the ground state in the strong-coupling regime, where UUU (the onsite repulsion) ≫\gg≫ ttt (the nearest-neighbor hopping). For small electron dopings above the half-filled antiferromagnet, we numerically uncover a rich variety of magnetically ordered states, and in conjunction with theoretical arguments, infer the phase diagram of the system as a function of doping and interaction strengths. In particular, we find that the inclusion of long-range Coulomb interactions induces an instability of high-spin states$\unicode{x2014}$such as the saturated Nagaoka ferromagnet$\unicode{x2014}$towards phase separation and stripe ordering. We also present proposals for the observation of some of our key findings in experiments that would shed further light on this paradigmatic strongly correlated system.
We study a two-band Hubbard model using the dynamical mean-field theory combined with the exact diagonalization method. At the electron density n=2n=2n=2, a transition from a band-insulator to a correlated semimetal occurs when the on-site Coulomb interaction UUU is varied for a fixed value of the charge-transfer energy ΔΔΔ. At low temperature, the correlated semimetal shows ferromagnetism or superconductivity. With increasing doping ∣n−2∣|n-2|∣n−2∣, the ferromagnetic transition temperature rapidly decreases and finally becomes zero at a critical value of nnn. The second-order phase transition occurs at high temperature, while a phase separation of ferromagnetic and paramagnetic states takes place at low temperature. The superconducting transition temperature gradually decreases and finally becomes zero near n=1n=1n=1 (n=3n=3n=3) where the system is Mott insulator which shows antiferromagnetism at low temperature.
The authors investigated the frustration effect when next-nearest-electron hopping causes itinerant ferromagnetism in a one-dimensional Hubbard model.By using the exact diagonalization method and the density-matrix renormalization-group technique,it was shown that the next-nearest electron hopping term stabilizes the ferromagnetic state for a wide range of electron interactions U and electron concentrations n when the system is small.Furthermore,by calculating the local spin-spin correlation function,we found the ferromagnetic state becomes unstable as the length of the system increases.A further study showed that the ferromagnetic relationships of the system become weaker when the system's size increases.In addition,the system will transit to the anti-ferromagnetic correlation when the system reaches critical length.These observed results demonstrate on the one hand that an itinerant ferromagnetic phase exists in the electron-mixing area of small-sized material in the one-dimensional Hubbard model,and on the other hand,these observations should be helpful in understanding the origin of the itinerant ferromagnetism observed recently in some metallic and metallic oxide clusters.