Magnetic properties of two and three-dimensional clusters of quantum dots are studied with exact diagonalization of a generalized Hubbard model. We study the weak coupling limit, where the electrons interact only within a quantum dot and consider cases where the second or third harmonic oscillator shell is partially filled. The results show that in the case of half-filled shell the magnetism is determined by the antiferromagnetic Heisenberg model with spin 1/2, 1 or 3/2, depending on the number of electrons in the open shell. For other fillings the system in most cases favors a large total spin, indicating a ferromagnetic coupling between the dots.
We employ the density functional Kohn-Sham method in the local spin-density approximation to study the electronic structure and magnetism of quasi one-dimensional periodic arrays of few-electron quantum dots. At small values of the lattice constant, the single dots overlap, forming a non-magnetic quantum wire with nearly homogenous density. As the confinement perpendicular to the wire is increased, i.e. as the wire is squeezed to become more one-dimensional, it undergoes a spin-Peierls transition. Magnetism sets in as the quantum dots are placed further apart. It is determined by the electroni…
The magnetic properties of the t-t' Hubbard Model in the two dimensional square lattice are studied within an unrestricted Hartree-Fock approximation in real space. The interplay between antiferromagnetism, ferromagnetism, phase separation and inhomogeneous magnetic textures is studied. It is shown that, at sufficiently large values of t'/t, a rich fenomenology is to be expected between the antiferromagnetic phase at half filling and the ferromagnetic phase a lower fillings.
We analyze the competition of magnetism and superconductivity in the two-dimensional Hubbard model with a moderate interaction strength, including the possibility of incommensurate spiral magnetic order. Using an unbiased renormalization group approach, we compute magnetic and superconducting order parameters in the ground state. In addition to previously established regions of Neel order coexisting with d-wave superconductivity, the calculations reveal further coexistence regions where superconductivity is accompanied by incommensurate magnetic order.
In order to study an interplay of disorder, correlation, and spin imbalance on antiferromagnetism, we systematically explore the ground state of one-dimensional spin-imbalanced Anderson-Hubbard model by using the density-matrix renormalization group method. We find that disorders localize the antiferromagnetic spin density wave induced by imbalanced fermions and the increase of the disorder magnitude shrinks the areas of the localized antiferromagnetized regions. Moreover, the antiferromagnetism finally disappears above a large disorder. These behaviors are observable in atomic Fermi gases loa…
We discuss the ground state magnetic phase diagram of the Hubbard model off half filling within the dynamical mean-field theory. The effective single-impurity Anderson model is solved by Wilson's numerical renormalization group calculations, adapted to symmetry broken phases. We find a phase separated, antiferromagnetic state up to a critical doping for small and intermediate values of U, but could not stabilise a Neel state for large U and finite doping. At very large U, the phase diagram exhibits an island with a ferromagnetic ground state. Spectral properties in the ordered phases are discu…
We propose a new treatment of the Hubbard model that is based both on the coherent-potential approximation (CPA) and the virtual-crystal approximation (VCA). It is well known that the equilibrium found using the one-particle CPA Green's functions does not predict an ordered magnetic ground state, while Stoner's mean-field treatment, which is equivalent to the VCA on the Hubbard model, does so for a wide range of parameters. A hybrid treatment, the tau-CPA, is developed, in which a particle is assumed to be scattered from an array of static opposite spins for a time tau related to the inverse o…
We study the temperature dependent magnetic susceptibility of a strained graphene quantum dot by using the determinant quantum Monte Carlo method. Within the Hubbard model on a honeycomb lattice, our unbiased numerical results show that a relative small interaction $U$ may lead to a edge ferromagnetic like behavior in the strained graphene quantum dot, and a possible room temperature transition is suggested. Around half filling, the ferromagnetic fluctuations at the zigzag edge is strengthened both markedly by the on-site Coulomb interaction and the strain, especially in low temperature region…
We study a two-dimensional Hubbard-Holstein model with phonons treated in the adiabatic limit. A Hartree-Fock decomposition is employed for the Hubbard term. A range of electronic densities are discussed with special emphasis on the quarter-filling ($n=0.5$). We argue that the quarter-filled system is relevant for the electronic properties observed at the interface between LaAlO$_3$ and SrTiO$_3$, where half-electron per unit cell is transferred to the TiO$_2$ layer as a consequence of the polar discontinuity at the interface. In addition to presenting the overall phase diagrams, we identify a…
We examine the nature of the transition to the antiferromagnetically ordered state in the half-filled three-dimensional Hubbard model using the dual-fermion multiscale approach. Consistent with analytics, in the weak-coupling regime we find that spin-flip excitations across the Fermi surface are important, and that the strong coupling regime is described by Heisenberg physics. In the intermediate interaction, strong correlation regime we find aspects of both local and non-local correlations. We analyze the critical exponents of the transition in the strong coupling regime and find them to be c…
The t-t' Hubbard model for the Fermi level near the Van Hove singularity is considered within the renormalization group and parquet approaches. The interplay of ferromagnetic, antiferromagnetic, and superconducting channels is investigated, and the phase diagram of the model is constructed. In comparison with previous approaches, the account of ferromagnetic fluctuations suppresses superconducting pairing and, vice versa, the influence of the Cooper channel decreases the Curie temperature, so that the Stoner criterion is inapplicable even qualitatively.
We use synchrotron x-ray diffraction and electrical transport under pressure to probe both the magnetism and the structure of single crystal NiS2 across its Mott-Hubbard transition. In the insulator, the low-temperature antiferromagnetic order results from superexchange among correlated electrons and couples to a (1/2, 1/2, 1/2) superlattice distortion. Applying pressure suppresses the insulating state, but enhances the magnetism as the superexchange increases with decreasing lattice constant. By comparing our results under pressure to previous studies of doped crystals we show that this depen…
We study magnetic, transport and thermodynamic properties of the half-filled two-dimensional ($2D$) Hubbard model with layered distributed repulsive interactions using unbiased finite temperature quantum Monte Carlo simulations. Antiferromagnetic long-ranged correlations at $T=0$ are confirmed by means of the magnetic structure factor and the onset of short-ranged ones is at a minimum temperature which can be obtained by peaks in susceptibility and specific heat following an RPA prediction. We also show that transport is affected in the large interaction limit and is enhanced in the non-repuls…
We briefly overview the importance of Hubbard and Anderson-lattice models as applied to explanation of high-temperature and heavy-fermion superconductivity. Application of the models during the last two decades provided an explanation of the paired states in correlated fermion systems and thus extended essentially their earlier usage to the description of itinerant magnetism, fluctuating valence, and the metal-insulator transition. In second part, we also present some of the new results concerning the unconventional superconductivity and obtained very recently in our group. A comparison with e…
Emergent magnetism and spin liquids in an extended Hubbard description of moiré bilayers
University of California, Santa Barbara（加州大学圣塔芭芭拉分校）；University of Cologne（科隆大学）；Kavli Institute for Theoretical Physics, University of California, Santa Barbara（加州大学圣塔芭芭拉分校卡弗里理论物理研究所）；French American Center for Theoretical Science, CNRS, KITP, Santa Barbara（法国美国理论科学中心，CNRS，KITP，圣塔芭芭拉）；Canadian Institute for Advanced Research（加拿大高级研究院）；Stanford Institute for Materials and Energy Sciences, SLAC National Accelerator Laboratory（斯坦福材料能源科学研究所，SLAC国家加速器实验室）
The interplay between magnetic and superconducting states on a square lattice is studied using the extended Hubbard model, which takes into account the attraction of electrons located at nearest neighbor sites. Ferro-, antiferro-, and spiral magnetic states with all possible sets of spiral wave vectors, as well as singlet superconducting states with s-wave and d-wave pairing order parameters, are considered. Formation of a state with the intermediate s+id-symmetry and phase separation between different phases are allowed. The results of the Hartree-Fock and slave boson approximations are compa…
We find the eigenvalues $E_α $ and eigenvectors $|E_α>$ of the extended Hubbard dimer and we represent each part $E_α |E_α> < E_α |$ of the dimer Hamiltonian $(α=1,2,...,16)$in the second quantizations with the use of the Hubbard and spin operators. This procedure gives a review of all competitive, intrinsic interactions, deeply hidden in the orginal form of the considered Hamiltonian. Among competitive interactions we can find ferromagnetic and antiferromagnetic interactions (also in the form appearing in the $t-J$ model), hopping of the Cooper pairs between different dimer lattice sites (sim…
The ground-state magnetic phase diagram is investigated within the single-band Hubbard model for square and different cubic lattices. The results of employing the generalized non-correlated mean-field (Hartree-Fock) approximation and generalized slave-boson approach by Kotliar and Ruckenstein with correlation effects included are compared. We take into account commensurate ferromagnetic, antiferromagnetic, and incommensurate (spiral) magnetic phases, as well as phase separation into magnetic phases of different types, which was often lacking in previous investigations. It is found that the spi…
Floquet Engineering Magnetism and Superconductivity in the Square-Lattice Hubbard Model
RWTH Aachen University（亚琛工业大学）；Columbia University（哥伦比亚大学）；Max Planck Institute for the Structure and Dynamics of Matter（物质结构与动力学马普研究所）；Technische Universität Braunschweig（布伦瑞克工业大学）
The nature of metal-insulator and magnetic transitions is still a subject under intense debate in condensed matter physics. Amongst the many possible mechanisms, the interplay between electronic correlations and spin-orbit couplings is an issue of a great deal of interest, in particular when dealing with quasi-2D compounds. In view of this, here we use a Hartree-Fock approach to investigate how the Rashba spin-orbit coupling, $V_\text{SO}$, affects the magnetic ordering provided by a Hubbard interaction, $U$, on a square lattice. At half-filling, we have found a sequence of transitions for inc…
Noncollinear magnetic states in clusters are studied by using the single-band Hubbard Hamiltonian. The unrestricted Hartree-Fock (UHF) approximation is considered without imposing any symmetry constraints neither to the size or orientation of the local magnetic moments $<\vec S_l>$ nor to the local charge densities $<n_l>$. A variety of qualitatively different selfconsistent solutions is obtained as a function of cluster size, structure, number of valence electrons $ν$ and Coulomb interaction strength $U/t$. This includes inhomogeneous density distributions, paramagnetic solutions, magnetic so…
The ground--state magnetic phase diagram is investigated for the two-- and three--dimensional $t$--$t'$ Hubbard model. We take into account commensurate ferro--, antiferromagnetic, and incommensurate (spiral) magnetic phases, as well as phase separation into magnetic phases of different types, which was often missed in previous investigations. We trace the influence of correlation effects on the stability of both spiral and collinear magnetic order by comparing the results of employing both the generalized non-correlated mean--field (Hartree--Fock) approximation and generalized slave boson app…
Sr2IrO4 has been suggested as a Mott insulator from a single J_eff=1/2 band, similar to the cuprates. However this picture is complicated by the measured large magnetic anisotropy and ferromagnetism. Based on a careful mapping to the J_eff=1/2 (pseudospin-1/2) space, we propose that the low energy electronic structure of Sr2IrO4 can indeed be described by a SU(2) invariant pseudospin-1/2 Hubbard model very similar to that of the cuprates, but with a "twisted" coupling to external magnetic field (a g-tensor with a staggered antisymmetric component). This perspective naturally explains the magne…
Motivated by the recent angle-resolved photoemission spectroscopy (ARPES) on FeSe and iron pnictide families of iron-based superconductors, we have studied the orbital nematic order and its interplay with antiferromagnetism within the two-orbital Hubbard model. We used random phase approximation (RPA) to calculate the dependence of the orbital and magnetic susceptibilities on the strength of interactions and electron density (doping). To account for strong electron correlations not captured by RPA, we further employed non-perturbative variational cluster approximation (VCA) capable of capturin…
The variational cluster approximation is used to study the isotropic triangular-lattice Hubbard model at half filling, taking into account the nearest-neighbor ($t_1$) and next-nearest-neighbor ($t_2$) hopping parameters for magnetic frustrations. We determine the ground-state phase diagram of the model. In the strong correlation regime, the 120$^\circ$ Néel and stripe ordered phases appear, and a nonmagnetic insulating phase emerges in between. In the intermediate correlation regime, the nonmagnetic insulating phase expands to a wider parameter region, which goes into a paramagnetic metallic …
Based on the Hubbard models, quantum magnetism of topologically-designed graphene nanoribbons (GNRs) is studied using exact numerical simulations. We first study a two-band Hubbard model describing the low-energy topological bands using density matrix renormalization group (DMRG) and determinant quantum Monte Carlo (DQMC) methods. It is found the spin correlations decay quickly with the distance, and the local moment is extrapolated to zero in the presence of symmetry-breaking terms. The results show that the two-band Hubbard chain is nonmagnetic, which is in contrast to the mean-field calcula…
We study a two-band Hubbard model using the dynamical mean-field theory combined with the exact diagonalization method. At the electron density $n=2$, a transition from a band-insulator to a correlated semimetal occurs when the on-site Coulomb interaction $U$ is varied for a fixed value of the charge-transfer energy $Δ$. At low temperature, the correlated semimetal shows ferromagnetism or superconductivity. With increasing doping $|n-2|$, the ferromagnetic transition temperature rapidly decreases and finally becomes zero at a critical value of $n$. The second-order phase transition occurs at h…
A self-consistent spectral density approach (SDA) is applied to the Hubbard model to investigate the possibility of spontaneous ferro- and antiferromagnetism. Starting point is a two-pole ansatz for the single-electron spectral density, the free parameter of which can be interpreted as energies and spectral weights of respective quasiparticle excitations. They are determined by fitting exactly calculated spectral moments. The resulting self-energy consists of a local and a non-local part. The higher correlation functions entering the spin-dependent local part can be expressed as functionals of…
Interacting fermions on a lattice can develop strong quantum correlations, which lie at the heart of the classical intractability of many exotic phases of matter. Seminal efforts are underway in the control of artificial quantum systems, that can be made to emulate the underlying Fermi-Hubbard models. Electrostatically confined conduction band electrons define interacting quantum coherent spin and charge degrees of freedom that allow all-electrical pure-state initialisation and readily adhere to an engineerable Fermi-Hubbard Hamiltonian. Until now, however, the substantial electrostatic disord…
We study the phase diagram of a square lattice Hubbard model with a perfect vacancy superstructure. The model can be also defined on a new bipartite lattice with each building blocks consisting of a minimal square. The non-interacting model is exactly solved and a mid-band gap opens at the Fermi energy in the weak inter-block hopping regime. Increasing the Coulomb interaction will develop the Néel antiferromagnetic order with varying block spin moments. The metal-insulator transition with $U_{\rm MI}$ smaller than the one without vacancies occurs above the magnetic instability $U_{\rm M}$. The…
We use the Gutzwiller variational theory to calculate the ground-state phase diagram and quasi-particle bands of LaOFeAs. The Fe3d--As4p Wannier-orbital basis obtained from density-functional theory defines the band part of our eight-band Hubbard model. The full atomic interaction between the electrons in the iron orbitals is parameterized by the Hubbard interaction U and an average Hund's-rule interaction J. We reproduce the experimentally observed small ordered magnetic moment over a large region of (U,J) parameter space. The magnetically ordered phase is a stripe spin-density wave of quasi-…
In quantum magnetism, the virtual exchange of particles mediates an interaction between spins. Here, we show that an inelastic Hubbard interaction fundamentally alters the magnetism of the Hubbard model due to dissipation in spin-exchange processes, leading to sign reversal of magnetic correlations in dissipative quantum dynamics. This mechanism is applicable to both fermionic and bosonic Mott insulators, and can naturally be realized with ultracold atoms undergoing two-body inelastic collisions. The dynamical reversal of magnetic correlations can be detected by using a double-well optical lat…
We model a quantum dot-array (with one electron per dot) comprising of two (or more than two) coupled dots by an extended Hubbard Hamiltonian to investigate the role played by the inter-dot tunneling amplitude td, together with intra-dot (U) and inter-dot(U1) coulomb repulsions, in the singlet / triplet bound state formation and evolution of the system from the Mott-insulator-like state to a correlated semi-metallic state via charge-bond-order route. In the presence of magnetic field, td is complex due to the appearance of Peierls phase factor. We introduce a short-ranged inter-dot capacitive …
Building on the results of Ref. \cite{faye2018phase}, which identified an antiferromagnetic and Kondo singlet phases on the Kondo-Hubbard square lattice, we use the variational cluster approximation (VCA) to investigate the competition between these phases on a two-dimensional triangular lattice with $120^{o}$ spin orientation. In addition to the antiferromagnetic exchange interaction $J_{\perp}$ between the localized (impurity) and conduction (itinerant) electrons, our model includes the local repulsion $U$ of the conduction electrons and the Heisenberg interaction $J_H$ between the impuritie…
A treatment of many-electron polar and $s-d(f)$ exchange models is carried out in connection with the development of the theory of magnetism of transition and rare-earth metals, as well as their compounds. Particular emphasis is placed on the derivation of the many-electron Heisenberg, Hubbard, Anderson and $t-J$ models, as well as the internal relationship between them. Among the topics discussed are many-electron approaches in describing systems of $d$- and $f$-electrons, atomic representation of Hubbard's $X$-operators, slave-particle representations, the problem of strong itinerant magneti…
Beyond Hubbard: the role of correlated hopping interaction in superconductors and quantum dot devices
Institute of Physics, M. Curie-Skłodowska University（玛丽亚·居里-斯克沃多夫斯卡大学物理研究所）；International Research Centre MagTop, Institute of Physics, Polish Academy of Sciences（波兰科学院物理研究所马格托国际研究中心）
Detailed analysis of the magnetic properties of the Hubbard model within dynamical mean-field theory (DMFT) is presented. Using a RPA-like decoupling of two-particle propagators we derive a universal form for susceptibilities, which captures essential aspects of localized and itinerant pictures. This expression is shown to be quantitatively valid whenever long-range coherence of particle-hole excitations can be neglected, as is the case in large parts of the phase diagram where antiferromag- netism is dominant. The applicability of an interpretation in terms of the two archetypical pictures of…
We study the energy spectra of small three-dimensional (3D) and two-dimensional (2D) semiconductor quantum dots through different theoretical approaches (single-site Hubbard and Hartree-Fock hamiltonians); in the smallest dots we also compare with exact results. We find that purely 2D models often lead to an inadequate description of the Coulomb interaction existing in realistic structures, as a consequence of the overestimated carrier localization. We show that the dimensionality of the dots has a crucial impact on (i) the accuracy of the predicted addition spectra; (ii) the range of validity…
The magnetic properties of graphene on finite geometries are studied using a self-consistent mean-field theory of the Hubbard model. This approach is known to predict ferromagnetic edge states close to the zig-zag edges in single-layer graphene quantum dots and nanoribbons. In order to assess the accuracy of this method, we perform complementary exact diagonalization and quantum Monte Carlo simulations. We observe good quantitative agreement for all quantities investigated provided that the Coulomb interaction is not too strong.
Cooperation and competition between the antiferromagnetic, d-wave superconducting and Mott-insulating states are explored for the two-dimensional Hubbard model including nearest and next-nearest-neighbor hoppings at zero temperature. Using the variational cluster approach with clusters of different shapes and sizes up to 10 sites, it is found that the doping-driven transition from a phase with microscopic coexistence of antiferromagnetism and superconductivity to a purely superconducting phase is discontinuous for strong interaction and accompanied by phase separation. At half-filling the syst…
A theory of Kondo lattices is applied to the crossover between local-moment magnetism and itinerant-electron magnetism in the t-J model on a quasi-two dimensional lattice. The Kondo temperature T_K is defined as a characteristic temperature or energy scale of local quantum spin fluctuations. Magnetism with T_N >> T_K, where T_N is the N\eel temperature, is characterized as local-moment one, while magnetism with T_N << T_K is characterized as itinerant-electron one. The Kondo temperature, which also gives a measure of the strength of the quenching of magnetic moments, is renormalized by the Foc…
Quantum simulations can provide new insights into the physics of strongly correlated electronic systems. A well studied system, but still open in many regards, is the Hubbard-Holstein Hamiltonian, where electronic repulsion is in competition with attraction generated by the electron-phonon coupling. In this context we study the phase diagram of four quantum dots in a suspended carbon nanotube and coupled to its flexural degrees of freedom. The system is described by a Hamiltonian of the Hubbard-Holstein class, where electrons on different sites interact with the same phonon. We find that the s…
We describe here a quantum simulator of extended bipartite Hubbard model with broken sublattice symmetry. The simulator consists of a structured lateral gate confining two dimensional electrons in a quantum well into artificial minima arranged in a hexagonal lattice. The sublattice symmetry breaking is generated by forming an artificial triangular graphene quantum dot (ATGQD) with zigzag edges. The resulting extended Hubbard model generates tunable ratio of tunneling strength to electron-electron interactions and of sublattice symmetry with control over shape. The validity of the simulator is …
Using exact-diagonalization of small clusters and Dyson equation embedding techniques, the conductance $G$ of linear arrays of quantum dots is investigated. The Hubbard interaction induces Kondo peaks at low temperatures for an odd number of dots. Remarkably, the Kondo peak is split in half by a deep minimum, and the conductance vanishes at one value of the gate voltage. Tentative explanations for this unusual effect are proposed, including an interference process between two channels contributing to $G$, with one more and one less particle than the exactly-solved cluster ground-state. The Hub…
We present an analytical study of a strongly correlated quantum dot-based thermoelectric particle-exchange heat engine for both finite and infinite on-dot Coulomb interaction. Employing Keldysh's non-equilibrium Green's function formalism for different decoupling schemes in the equation of motion, we have analyzed the thermoelectric properties within the non-linear transport regime. As the simplest mean-field approximation is insufficient for analyzing thermoelectric properties in the Coulomb blockade regime, one needs to employ a higher-order approximation to study strongly correlated QD-base…
We show that the interplay of a high density two-dimensional electron gas and localized electrons in a neighboring Mott insulator leads to kinetic magnetism unique to the Mott/band insulator interface. Our study is based upon a bilayer Hubbard model at $U=\infty$ with a potential difference between the two layers. We combine analytic results with DMRG simulations to show that magnetism, and especially ferromagnetism, is greatly enhanced relative by the proximity of the two subsystems. The results are potentially relevant to recent experiments suggesting magnetism in $R$TiO$_3$/SrTiO$_3$ hetero…
