Slave Spin Research Articles

Dynamical t/U Expansion of the Doped Hubbard Model

We construct a new U(1) slave-spin representation for the single-band Hubbard model in the large-U limit. The mean-field theory in this representation is more amenable to describe both the spin-charge-separation physics of the Mott insulator at half-filling and the strange metal behavior at finite doping. By employing a dynamical Green’s function theory for slave spins, we calculate the single-particle spectral function of electrons. The result is comparable to that in dynamical mean field theories. We then formulate a dynamical t/U expansion for the doped Hubbard model that reproduces the mean-field results at the lowest order of expansion. To the next order of expansion, it naturally yields an effective low-energy theory of a t–J model for spinons self-consistently coupled to an XXZ model for the slave spins. We show that the superexchange J is renormalized by doping, in agreement with the Gutzwiller approximation. Surprisingly, we find a new ferromagnetic channel of exchange interactions which survives in the infinite U limit, as a manifestation of the Nagaoka ferromagnetism.

Kondo effect and its destruction in heterobilayer transition metal dichalcogenides

Moiré structures, along with line-graph-based d-electron systems, represent a setting to realize flat bands. One form of the associated strong correlation physics is the Kondo effect. Here, we address the recently observed Kondo-driven heavy fermion state and its destruction in AB-stacked hetero-bilayer transition metal dichalcogenides, which can be controlled by the gate voltages. By studying an effective interacting Hamiltonian using the slave spin approach, we obtained a phase diagram with the total filling factor and the displacement field strength as the tunable parameters. In an extended range of the tunable displacement field, our numerical results show that the relative filling of the d orbital, which is associated with the highest moiré band from the MoTe2 layer, is enforced to be νd≈1 by the interaction. This agrees with the experimental observation. We also argue that the observed high coherence temperature scale could be explained by the non-negligible bandwidth of the d orbital. Our results set the stage to address the amplified quantum fluctuations that the Kondo effect may produce in these structures and new regimes that the systems open up for Kondo-destruction quantum criticality. Published by the American Physical Society 2024

Eliminating Orbital Selectivity from the Metal-Insulator Transition by Strong Magnetic Fluctuations.

The orbital-selective electronic behavior is one of the most remarkable manifestations of strong electronic correlations in multiorbital systems. A prominent example is the orbital-selective Mott transition (OSMT), which is characterized by the coexistence of localized electrons in some orbitals, and itinerant electrons in other orbitals. The state-of-the-art theoretical description of the OSMT in two- and three-dimensional systems is based on local nonperturbative approximations to electronic correlations provided by dynamical mean-field theory or slave spin method. In this work we go beyond this local picture and focus on the effect of spatial collective electronic fluctuations on the OSMT. To this aim, we consider a half-filled Hubbard-Kanamori model on a cubic lattice with two orbitals that have different bandwidths. We show that strong magnetic fluctuations that are inherent in this system prevent the OSMT and favor the Néel transition that occurs at the same critical temperature for both orbitals.

Orthogonal metal in the Hubbard model with liberated slave spins

A two-dimensional Falicov-Kimball model, equivalent to the Hubbard model in an unconstrained slave-spin representation, is studied by quantum Monte Carlo simulations. The focus is on a fractionalized metallic phase that is characterized in terms of spectral, thermodynamic, and transport properties, including a comparison to the half-filled Hubbard model. The properties of this phase, most notably a single-particle gap but gapless spin and charge excitations, can in principle be understood in the framework of orthogonal metals. However, important and interesting differences arise in the present setting compared to single-particle mean-field theories and other models. We also discuss the role of the local constraints from the slave-spin representation within an extended phase diagram that includes the spatial dimension as a parameter, thereby making contact with previous work in infinite dimensions. Finally, we highlight the absence of $\pi$-flux configurations in the slave-spin formulation, in particular in the context of topologically ordered fractional phases predicted at the mean-field level.

Benchmarking the simplest slave-particle theory with Hubbard dimer**Project supported by the National Natural Science Foundation of China (Grant Nos. 11674139, 11704166, and 11834005), the Fundamental Research Funds for the Central Universities, China, and Program for Changjiang Scholars and Innovative Research Team in University, China (Grant No. IRT-16R35).

Slave-particle method is a powerful tool to tackle the correlation effect in quantum many-body physics. Although it has been successfully used to comprehend various intriguing problems, such as Mott metal–insulator transition and Kondo effect, there is still no convincing theory so far on the availability and limitation of this method. The abuse of slave-particle method may lead to wrong physics. As the simplest slave-particle method, slave spin, which is widely applied to many strongly correlated problems, is highly accessible and researchable. In this work, we will uncover the nature of the slave-spin method by studying a two-site Hubbard model. After exploring aspects of properties of this toy model, we make a comparative analysis of the results obtained by three methods: (i) slave-spin method on mean-field level, (ii) slave-spin method with gauge constraint, and (iii) the exact solution as a benchmark. We find that, protected by the particle–hole symmetry, the slave-spin mean-field method can recover the static properties of ground state exactly at half filling. Furthermore, in the parameter space where both U and T are small enough, the slave-spin mean-field method is also reliable in calculating the dynamic and thermal dynamic properties. However, when U or T is considerably large, the mean-field approximation gives ill-defined behaviors, which result from the unphysical states in the enlarged Hilbert space. These findings lead to our conclusion that the accuracy of slave particle can be guaranteed if we can exclude all unphysical states by enforcing gauge constraints. Our work demonstrates the promising prospect of slave-particle method in studying complex strongly correlated models with specific symmetry or in certain parameter space.

Cooperative effects of strain and electron correlation in epitaxial VO2 and NbO2

We investigate the electronic structure of epitaxial VO2 films in the rutile phase using density functional theory combined with the slave-spin method (DFT + SS). In DFT + SS, multi-orbital Hubbard interactions are added to a DFT-fit tight-binding model, and slave spins are used to treat electron correlations. We find that while stretching the system along the rutile c-axis results in a band structure favoring anisotropic orbital fillings, electron correlations favor equal filling of the t2g orbitals. These two distinct effects cooperatively induce an orbital-dependent redistribution of the electron occupations and spectral weights, driving strained VO2 toward an orbital selective Mott transition (OSMT). The simulated single-particle spectral functions are directly compared to V L-edge resonant X-ray photoemission spectroscopy of epitaxial 10 nm VO2/TiO2 (001) and (100) strain orientations. Excellent agreement is observed between the simulations and experimental data regarding the strain-induced evolution of the lower Hubbard band. Simulations of rutile NbO2 under similar strain conditions are performed, and we predict that an OSMT will not occur in rutile NbO2. Our prediction is supported by the high-temperature hard x-ray photoelectron spectroscopy measurement on relaxed NbO2 (110) thin films with no trace of the lower Hubbard band. Our results indicate that electron correlations in VO2 are important and can be modulated even in the rutile phase before the Peierls instability sets in.

Fractionalized Metal in a Falicov-Kimball Model.

Quantum MonteCarlo simulations reveal an exotic metallic phase with a single-particle gap but gapless spin and charge excitations and a nonsaturating resistivity in a two-dimensional SU(2) Falicov-Kimball model. An exact duality between this model and an unconstrained slave-spin theory leads to a classification of the phase as a fractionalized or orthogonal metal whose low-energy excitations have different quantum numbers than the original electrons. Whereas the fractionalized metal corresponds to the regime of disordered slave spins, the regime of ordered slave spins is a Fermi liquid. At a critical temperature, an Ising phase transition to a spontaneously generated constrained slave-spin theory of the Hubbard model is observed.

Semiconductor of spinons: from Ising band insulator to orthogonal band insulator

We use the ionic Hubbard model to study the effects of strong correlations on a two-dimensional semiconductor. The spectral gap in the limit where on-site interactions are zero is set by the staggered ionic potential, while in the strong interaction limit it is set by the Hubbard U. Combining mean field solutions of the slave spin and slave rotor methods, we propose two interesting gapped phases in between: (i) the insulating phase before the Mott phase can be viewed as gapping a non-Fermi liquid state of spinons by the staggered ionic potential. The quasi-particles of underlying spinons are orthogonal to physical electrons, giving rise to the ‘ARPES-dark’ state where the ARPES gap will be larger than the optical and thermal gap. (ii) The Ising insulator corresponding to ordered phase of the Ising variable is characterized by single-particle excitations whose dispersion is controlled by Ising-like temperature and field dependences. The temperature can be conveniently employed to drive a phase transition between these two insulating phases where Ising exponents become measurable by ARPES and cyclotron resonance. The rare earth monochalcogenide semiconductors where the magneto-resistance is anomalously large can be a candidate system for the Ising band insulator. We argue that the Ising and orthogonal insulating phases require strong enough ionic potential to survive the downward renormalization of the ionic potential caused by Hubbard U.

Publisher's Note: Unbinding slave spins in the Anderson impurity model [Phys. Rev. B 96 , 201106(R) (2017)

Publisher's Note: Unbinding slave spins in the Anderson impurity model [Phys. Rev. B <b>96</b> , 201106(R) (2017)

Unbinding slave spins in the Anderson impurity model

We show that a generic single-orbital Anderson impurity model, lacking for instance any kind of particle-hole symmetry, can be exactly mapped without any constraint onto a resonant level model coupled to two Ising variables, which reduce to one if the hybridisation is particle-hole symmetric. The mean-field solution of this model is found to be stable to unphysical spontaneous magnetisation of the impurity, unlike the saddle-point solution in the standard slave-boson representation. Remarkably, the mean-field estimate of the Wilson ratio approaches the exact value $R_\text{W}=2$ in the Kondo regime.

Antiferromagnetism in the Hubbard model using a cluster slave-spin method

The cluster slave-spin method is introduced to systematically investigate the solutions of the Hubbard model including the symmetry-broken phases. In this method, the electron operator is factorized into a fermioninc spinon describing the physical spin and a slave-spin describing the charge fluctuations. Following the $U(1)$ formalism derived by Yu and Si [Phys. Rev. B 86, 085104 (2012)], it is shown that the self-consistent equations to explore various symmetry-broken density wave states can be constructed in general with a cluster of multiple slave-spin sites. We employ this method to study the antiferromagnetic (AFM) state in the single band Hubbard model with the two and four-site clusters of slave spins. While the Hubbard gap, the charge gap due to the doubly-occupied states, scales with the Hubbard interaction $U$ as expected, the AFM gap $\Delta$, the gap in the spinon dispersion in the AFM state, exhibits a crossover from the weak to strong-coupling behaviors as $U$ increases. Our cluster slave-spin method reproduces not only the traditional mean-field behavior of $\Delta \sim U$ in the weak-coupling limit, but also the behavior of $\Delta \sim t^2/U$ predicted by the superexchange mechanism in the strong coupling limit. In addition, the holon-doublon correlator as functions of $U$ and doping $x$ is also computed, which exhibits a strong tendency toward the holon-doublon binding in the strong coupling regime. We further show that the quasiparticle weight obtained by the cluster slave-spin method is in a good agreement with the generalized Gutzwiller approximation in both AFM and paramagnetic states, and the results can be improved beyond the generalized Gutzwiller approximation as the cluster is enlarged from a single site to 4 sites. Our results demonstrate that the cluster slave-spin method can be a powerful tool to systematically investigate the strongly correlated system.

Strong correlations and the search for high- Tc superconductivity in chromium pnictides and chalcogenides

Undoped iron superconductors accommodate $n=6$ electrons in five d-orbitals. Experimental and theoretical evidence shows that the strength of correlations increases with hole-doping, as the electronic filling approaches half-filling with $n=5$ electrons. This evidence delineates a scenario in which the parent compound of iron superconductors is the half-filled system, in analogy to cuprate superconductors. In cuprates the superconductivity can be induced upon electron or hole doping. In this work we propose to search for high-Tc superconductivity and strong correlations in chromium pnictides and chalcogenides with $n<5$ electrons. By means of ab-initio, slave spin and multi-orbital RPA calculations we analyse the strength of the correlations and the superconducting and magnetic instabilities in these systems with main focus on LaCrAsO. We find that electron-doped LaCrAsO is a strongly correlated system with competing magnetic interactions, being $(\pi,\pi)$ antiferromagnetism and nodal d-wave pairing the most plausible magnetic and superconducting instabilities, respectively.

Tuning a strain-induced orbital selective Mott transition in epitaxialVO2

We present evidence of strain-induced modulation of electron correlation effects and increased orbital anisotropy in the rutile phase of epitaxial VO$_2$/TiO$_2$ films from hard x-ray photoelectron spectroscopy and soft V L-edge x-ray absorption spectroscopy, respectively. By using the U(1) slave spin formalism, we further argue that the observed anisotropic correlation effects can be understood by a model of orbital selective Mott transition at a filling that is non-integer, but close to the half-filling. Because the overlaps of wave functions between $d$ orbitals are modified by the strain, orbitally-dependent renormalizations of the bandwidths and the crystal fields occur with the application of strain. These renormalizations generally result in different occupation numbers in different orbitals. We find that if the system has a non-integer filling number near the half-filling such as for VO$_2$, certain orbitals could reach an occupation number closer to half-filling under the strain, resulting in a strong reduction in the quasiparticle weight $Z_{\alpha}$ of that orbital. Moreover, an orbital selective Mott transition, defined as the case with $Z_{\alpha} = 0$ in some, but not all orbitals, could be accessed by epitaxial strain-engineering of correlated electron systems.

Correlated metallic state in honeycomb lattice: Orthogonal Dirac semimetal

A novel gapped metallic state coined orthogonal Dirac semimetal is proposed in the honeycomb lattice in terms of ${Z}_{2}$ slave-spin representation of Hubbard model. This state corresponds to the disordered phase of slave spin and has the same thermodynamical and transport properties as a usual Dirac semimetal but its singe-particle excitation is gapped and has nontrivial topological order due to the ${Z}_{2}$ gauge structure. The quantum phase transition from this orthogonal Dirac semimetal to the usual Dirac semimetal is described by a mean-field decoupling with complementary fluctuation analysis and its criticality falls into the universality class of 2+1D Ising model while a large anomalous dimension for the physical electron is found at quantum critical point (QCP), which could be considered as a fingerprint of our fractionalized theory when compared to other nonfractionalized approaches. As byproducts, a path integral formalism for the ${Z}_{2}$ slave-spin representation of Hubbard model is constructed and possible relations to other approaches and the sublattice pairing states, which has been argued to be a promising candidate for gapped spin liquid state found in the numerical simulation, are briefly discussed. Additionally, when spin-orbit coupling is considered, the instability of orthogonal Dirac semimetal to the fractionalized quantum spin Hall insulator (fractionalized topological insulator) is also expected. We hope the present work may be helpful for future studies in ${Z}_{2}$ slave-spin theory and related non-Fermi-liquid phases in honeycomb lattice.

Alternative Kondo breakdown mechanism: Orbital-selective orthogonal metal transition

In a recent paper of Nandkishore, Metlitski, and Senthil [Phys. Rev. B 86, 045128 (2012)], a concept of orthogonal metal has been introduced to reinterpret the disordered state of slave-spin representation in the Hubbard model as an exotic gapped metallic state. We extend this concept to study the corresponding quantum phase transition in the extended Anderson lattice model. It is found that the disordered state of slave spins in this model is an orbital-selective orthogonal metal, a generalization of the concept of the orthogonal metal in the Hubbard model. The quantum critical behaviors are multiscale and dominated by a $z=3$ and $z=2$ critical modes in the high- and low-temperature regime, respectively. Such behaviors are obviously in contrast to the naive expectation in the Hubbard model. The result provides alternative Kondo breakdown mechanism for heavy fermion compounds underlying the physics of the orbital-selective orthogonal metal in the disordered state, which is different from the conventional Kondo breakdown mechanism with the fractionalized Fermi-liquid picture. This work is expected to be useful in understanding the quantum criticality happening in some heavy fermion materials and other related strongly correlated systems.

U(1)slave-spin theory and its application to Mott transition in a multiorbital model for iron pnictides

A $U(1)$ slave-spin representation is introduced for multiorbital Hubbard models. As with the ${Z}_{2}$ form of de'Medici et al. [Phys. Rev. B 72, 205124 (2005)], this approach represents a physical electron operator as the product of a slave spin and an auxiliary fermion operator. For nondegenerate multiorbital models, our $U(1)$ approach is advantageous in that it captures the noninteracting limit at the mean-field level. For systems with either a single orbital or degenerate multiple orbitals, the $U(1)$ and ${Z}_{2}$ slave-spin approaches yield the same results in the slave-spin-condensed phase. In general, the $U(1)$ slave-spin approach contains a $U(1)$ gauge redundancy, and properly describes a Mott insulating phase. We apply the $U(1)$ slave-spin approach to study the metal-to-insulator transition in a five-orbital model for parent iron pnictides. We demonstrate a Mott transition as a function of the interactions in this model. The nature of the Mott insulating state is influenced by the interplay between the Hund's rule coupling and crystal-field splittings. In the metallic phase, when the Hund's rule coupling is beyond a threshold, there is a crossover from a weakly correlated metal to a strongly correlated one, through which the quasiparticle spectral weight rapidly drops. The existence of such a strongly correlated metallic phase supports the incipient Mott picture of the parent iron pnictides. In the parameter regime for this phase and in the vicinity of the Mott transition, we find that an orbital selective Mott state has nearly as competitive a ground-state energy.

Orthogonal metals: The simplest non-Fermi liquids

We present a fractionalized metallic phase which is indistinguishable from the Fermi liquid in conductivity and thermodynamics, but is sharply distinct in one-electron properties, such as the electron spectral function. We dub this phase the ``orthogonal metal.'' The orthogonal metal and the transition to it from the Fermi liquid are naturally described using a slave-particle representation wherein the electron is expressed as a product of a fermion and a slave Ising spin. We emphasize that when the slave spins are disordered, the result is not a Mott insulator (as erroneously assumed in the prior literature), but rather the orthogonal metal. We construct prototypical ground-state wave functions for the orthogonal metal by modifying the Jastrow factor of Slater-Jastrow wave functions that describe ordinary Fermi liquids. We further demonstrate that the transition from the Fermi liquid to the orthogonal metal can, in some circumstances, provide a simple example of a continuous destruction of a Fermi surface with a critical Fermi surface appearing right at the critical point. We present exactly soluble models that realize an orthogonal metal phase, and the phase transition to the Fermi liquid. These models thus provide valuable solvable examples for phase transitions associated with the death of a Fermi surface.

Orbital-selective Mott transition in multiband systems: Slave-spin representation and dynamical mean-field theory

We examine whether the Mott transition of a half-filled, two-orbital Hubbard model with unequal bandwidths occurs simultaneously for both bands or whether it is a two-stage process in which the orbital with narrower bandwith localizes first (giving rise to an intermediate `orbital-selective' Mott phase). This question is addressed using both dynamical mean-field theory, and a representation of fermion operators in terms of slave quantum spins, followed by a mean-field approximation (similar in spirit to a Gutzwiller approximation). In the latter approach, the Mott transition is found to be orbital-selective for all values of the Coulomb exchange (Hund) coupling J when the bandwidth ratio is small, and only beyond a critical value of J when the bandwidth ratio is larger. Dynamical mean-field theory partially confirms these findings, but the intermediate phase at J=0 is found to differ from a conventional Mott insulator, with spectral weight extending down to arbitrary low energy. Finally, the orbital-selective Mott phase is found, at zero-temperature, to be unstable with respect to an inter-orbital hybridization, and replaced by a state with a large effective mass (and a low quasiparticle coherence scale) for the narrower band.