Schrieffer-Wolff Transformation Research Articles

Floquet engineering of binding in doped and photo-doped Mott insulators

We investigate the emergence of bound states in chemically and photo-doped Mott insulators, mediated by spin and η-pairing fluctuations within both 2-leg ladder and 2D systems. To effectively describe the photo and chemically doped state on the same footings, we employ the Schrieffer-Wolff transformation, resulting in a generalized t−J model. Our results demonstrate that the binding energies and localization length in the chemically and photo-doped regimes are comparable, with η-pairing fluctuations not playing a crucial role. Furthermore, we show that manipulating the binding is possible through external periodic driving, a technique known as Floquet engineering, leading to significantly enhanced binding energies. We also roughly estimate the lifetime of photo-doped states under periodic driving conditions based on the Fermi golden rule. Lastly, we propose experimental protocols for realizing Hubbard excitons in cold-atom experiments. Published by the American Physical Society 2024

Kondo Lattice Model of Magic-Angle Twisted-Bilayer Graphene: Hund's Rule, Local-Moment Fluctuations, and Low-Energy Effective Theory.

We apply a generalized Schrieffer-Wolff transformation to the extended Anderson-like topological heavy fermion (THF) model for the magic-angle (θ=1.05°) twisted bilayer graphene (MATBLG) [Phys. Rev. Lett. 129, 047601 (2022)PRLTAO0031-900710.1103/PhysRevLett.129.047601], to obtain its Kondo lattice limit. In this limit localized f electrons on a triangular lattice interact with topological conduction c electrons. By solving the exact limit of the THF model, we show that the integer fillings ν=0,±1,±2 are controlled by the heavy f electrons, while ν=±3 is at the border of a phase transition between two f-electron fillings. For ν=0,±1,±2, we then calculate the Ruderman-Kittel-Kasuya-Yosida (RKKY) interactions between the f moments in the full model and analytically prove the SU(4) Hund's rule for the ground state which maintains that two f electrons fill the same valley-spin flavor. Our (ferromagnetic interactions in the) spin model dramatically differ from the usual Heisenberg antiferromagnetic interactions expected at strong coupling. We show the ground state in some limits can be found exactly by employing a positive semidefinite "bond-operators" method. We then compute the excitation spectrum of the f moments in the ordered ground state, prove the stability of the ground state favored by RKKY interactions, and discuss the properties of the Goldstone modes, the (reason for the accidental) degeneracy of (some of) the excitation modes, and the physics of their phase stiffness. We develop a low-energy effective theory for the f moments and obtain analytic expressions for the dispersion of the collective modes. We discuss the relevance of our results to the spin-entropy experiments in TBG.

Entanglement blossom in a simplex matryoshka

Exotic entanglement entropy scaling properties usually present interesting entanglement structures in real space and novel metrics of the spacetime lattice. One prominent example is the rainbow chain where lattice sites which are symmetric about the center form entangled Bell pairs due to an effective long-range coupling in the strong inhomogeneity regime. This manuscript generalizes the rainbow chain to a Hausdorff dimension one lattice embedded in higher dimensional space and enlarged local Hilbert space keeping the Hamiltonian frustration free. The effective Hamiltonian from the Schrieffer–Wolff transformation is given by a stacking of layers of k-simplices with 0-dimensional (all-to-all interacting) antiferromagnetic Hamiltonians, which can be diagonalized analytically with Young operators. The original lattice can be obtained by introducing disinclination defects in a regular k-dimensional cubical lattice, which introduces curvature at the center of the lattice. The model interpolates between the SYK model and the free-fermionic XX spin chain, and hence might be potentially useful in understanding black hole physics and holography.

Recursive relations and quantum eigensolver algorithms within modified Schrieffer-Wolff transformations for the Hubbard dimer

We derive recursive relations for the Schrieffer--Wolff (SW) transformation applied to the half-filled Hubbard dimer. While the standard SW transformation is set to block-diagonalize the transformed Hamiltonian solely at the first order of perturbation, we infer from recursive relations two types of modifications, variational or iterative, that approach, or even enforce for the homogeneous case, the desired block-diagonalization at infinite order of perturbation. The modified SW unitary transformations are then used to design an test quantum algorithms adapted to the noisy and fault-tolerant era. This work paves the way toward the design of alternative quantum algorithms for the general Hubbard Hamiltonian.

Fock-Space Schrieffer–Wolff Transformation: Classically-Assisted Rank-Reduced Quantum Phase Estimation Algorithm

We present an extension of many-body downfolding methods to reduce the resources required in the quantum phase estimation (QPE) algorithm. In this paper, we focus on the Schrieffer–Wolff (SW) transformation of the electronic Hamiltonians for molecular systems that provides significant simplifications of quantum circuits for simulations of quantum dynamics. We demonstrate that by employing Fock-space variants of the SW transformation (or rank-reducing similarity transformations (RRST)) one can significantly increase the locality of the qubit-mapped similarity-transformed Hamiltonians. The practical utilization of the SW-RRST formalism is associated with a series of approximations discussed in the manuscript. In particular, amplitudes that define RRST can be evaluated using conventional computers and then encoded on quantum computers. The SW-RRST QPE quantum algorithms can also be viewed as an extension of the standard state-specific coupled-cluster downfolding methods to provide a robust alternative to the traditional QPE algorithms to identify the ground and excited states for systems with various numbers of electrons using the same Fock-space representations of the downfolded Hamiltonian. The RRST formalism serves as a design principle for developing new classes of approximate schemes that reduce the complexity of quantum circuits.

Krein-unitary Schrieffer-Wolff transformation and band touchings in bosonic Bogoliubov–de Gennes and other Krein-Hermitian Hamiltonians

Krein-Hermitian Hamiltonians, i.e., Hamiltonians Hermitian with respect to an indefinite inner product, have emerged as an important class of non-Hermitian Hamiltonians in physics, encompassing both single-particle bosonic Bogoliubov-de Gennes (BdG) Hamiltonians and so-called "$PT$-symmetric" non-Hermitian Hamiltonians. In particular, they have attracted considerable scrutiny owing to the recent surge in interest for boson topology. Motivated by these developments, we formulate a perturbative Krein-unitary Schrieffer-Wolff transformation for finite-size dynamically stable Krein-Hermitian Hamiltonians, yielding an effective Hamiltonian for a subspace of interest. The effective Hamiltonian is Krein Hermitian and, for sufficiently small perturbations, also dynamically stable. As an application, we use this transformation to justify codimension-based analyses of band touchings in bosonic BdG Hamiltonians, which complement topological characterization. We use this simple approach based on symmetry and codimension to revisit known topological magnon band touchings in several materials of recent interest.

Quantum algorithms for Schrieffer-Wolff transformation

The Schrieffer-Wolff transformation aims to solve degenerate perturbation problems and give an effective Hamiltonian that describes the low-energy dynamics of the exact Hamiltonian in the low-energy subspace of unperturbed Hamiltonian. This unitary transformation decoupling the low-energy and high-energy subspaces for the transformed Hamiltonian can be realized by quantum circuits. We give a fully quantum algorithm for realizing the SW transformation. We also propose a hybrid quantum-classical algorithm for finding the effective Hamiltonian on NISQ hardware, where a general cost function is used to indicate the decoupling degree. Numerical simulations without or with noise and experiments on quantum computer ibmq_manila are implemented for a Heisenberg chain model. Our results verify the algorithm and show its validity on near-term quantum computers.

Electronic structure studies of Kondo lattice compounds CeRhSn[formula omitted] and CeRuSn[formula omitted]: Comparative study

We report on X-ray photoelectron spectroscopy and ab initio electronic structure investigations of CeRuSn3 and CeRhSn3 and their La counterparts. A combined experimental study and band structure calculations indicate a stable configuration of Ce3+ in the both Ce-based compounds. We also documented that the transition metal Rh or Ru with different number of 4d electrons plays a decisive role in controlling the hybridization strength V between the 4f and conduction electron states, which in turn governs the magnetic ground state properties of these compounds. For CeRuSn3V is ∼1.2 times larger than V of CeRhSn3, which is a reason of stronger Kondo interaction in Ru sample, expressed by larger Kondo temperature TK. On the basis of Schrieffer–Wolff transformation, ab initio calculations, and XPS data, we estimated on-site Jfc coupling constants, which are dependent on Wyckoff position of Ce, and allowed to determine Kondo temperatures, as well as explain nature of the magnetic ground states. The interband hybridization forms a pseudogap in the density of states of CeRuSn3, CeRhSn3 and their La-bearing counterparts at the Fermi level, which could be a reason of Mott variable-range hoping behavior.

Perturbative Diagonalization for Time-Dependent Strong Interactions

We present a systematic method to implement a perturbative Hamiltonian diagonalization based on the time-dependent Schrieffer-Wolff transformation. Applying our method to strong parametric interactions we show how, even in the dispersive regime, full Rabi model physics is essential to describe the dressed spectrum. Our results unveil several qualitatively different results, including realization of large energy-level shifts, tunable in magnitude and sign with the frequency and amplitude of the pump mediating the parametric interaction. Crucially, Bloch-Siegert shifts, typically thought to be important only in the ultrastrong or deep-strong coupling regimes, can be rendered large even for weak dispersive interactions to realize points of exact cancelation of dressed shifts (``blind spots'') at specific pump frequencies. The framework developed here highlights the rich physics accessible with time-dependent interactions and serves to significantly expand the functionalities for control and readout of strongly interacting quantum systems.

Lindblad Master Equations for Quantum Systems Coupled to Dissipative Bosonic Modes

We present a general approach to derive Lindblad master equations for a subsystem whose dynamics is coupled to dissipative bosonic modes. The derivation relies on a Schrieffer-Wolff transformation which allows us to eliminate the bosonic degrees of freedom after self-consistently determining their state as a function of the coupled quantum system. We apply this formalism to the dissipative Dicke model and derive a Lindblad master equation for the atomic spins, which includes the coherent and dissipative interactions mediated by the bosonic mode. This master equation accurately predicts the Dicke phase transition and gives the correct steady state. In addition, we compare the dynamics using exact diagonalization and numerical integration of the master equation with the predictions of semiclassical trajectories. We finally test the performance of our formalism by studying the relaxation of a NOON state and show that the dynamics captures quantum metastability.

Effective hopping between magnetic impurities in silicene

In this work we analyze the effects of the conduction electrons on the hopping function between two magnetic impurities located in the A sublattice in silicene placed in an external electric field. By using the Schrieffer-Wolff transformation we analyze the dependence of the effective hopping on the distance between the magnetic adatoms. By using particle number conservation, the spectrum for different occupation numbers is studied for different values of the Hubbard parameter, the electric field and the inter-impurity distance. We show that for half-filling an ionic to covalent ground state transition and viceversa can be achieved for a specific electric field strength. Finally, we explore the partition function and we study the average energy and average occupation as a function of temperature, obtaining a pattern of Mott plateaus.

Schrieffer-Wolff transformations for experiments: Dynamically suppressing virtual doublon-hole excitations in a Fermi-Hubbard simulator

In strongly interacting systems with a separation of energy scales, low-energy effective Hamiltonians help provide insights into the relevant physics at low temperatures. The emergent interactions in the effective model are mediated by virtual excitations of high-energy states: For example, virtual doublon-hole excitations in the Fermi-Hubbard model mediate antiferromagnetic spin-exchange interactions in the derived effective model, known as the $t-J-3s$ model. Formally this procedure is described by performing a unitary Schrieffer-Wolff basis transformation. In the context of quantum simulation, it can be advantageous to consider the effective model to interpret experimental results. However, virtual excitations such as doublon-hole pairs can obfuscate the measurement of physical observables. Here we show that quantum simulators allow one to access the effective model even more directly by performing measurements in a rotated basis. We propose a protocol to perform a Schrieffer-Wolff transformation on Fermi-Hubbard low-energy eigenstates (or thermal states) to dynamically prepare approximate $t-J-3s$ model states using fermionic atoms in an optical lattice. Our protocol involves performing a linear ramp of the optical lattice depth, which is slow enough to eliminate the virtual doublon-hole fluctuations but fast enough to freeze out the dynamics in the effective model. We perform a numerical study using exact diagonalization and find an optimal ramp speed for which the state after the lattice ramp has maximal overlap with the $t-J-3s$ model state. We compare our numerics to experimental data from our Lithium-6 fermionic quantum gas microscope and show a proof-of-principle demonstration of this protocol. More generally, this protocol can be beneficial to studies of effective models by enabling the suppression of virtual excitations in a wide range of quantum simulation experiments.

Floquet topological superconductivity induced by chiral many-body interaction

Non-equilibrium engineering is becoming a seminal way for realising novel quantum phases that are unimaginable in equilibrium. In particular, Floquet theory applied to quantum mechanics revealed that we can even control the band topology in semimetallic/insulating systems, while the straightforward application to topological superconductivity fails for typical superconductors because the supercondicting gap function does not couple to the electromagnetic field in a direct manner. Here we show that we can overcome this difficulty by taking account of correlation effects. Namely, we study how a d-wave superconductivity is changed when illuminated by circularly-polarised light (CPL) in the repulsive Hubbard model in the strong-coupling regime. We adopt the Floquet formalism for the Gutzwiller-projected effective Hamiltonian with the time-periodic Schrieffer-Wolff transformation. We find that CPL induces a topological superconductivity with a d + id pairing, which arises from the chiral spin coupling and the three-site term generated by the CPL. The latter term remains significant even for low frequencies and low intensities of the CPL. This is clearly reflected in the obtained phase diagram against the laser intensity and temperature for various frequencies red-detuned from the Hubbard U, with the transient dynamics also examined. The phenomenon revealed here can open a novel, dynamical way to induce a topological superconductivity.

Designing Kerr Interactions for Quantum Information Processing via Counterrotating Terms of Asymmetric Josephson-Junction Loops

Continuous-variable systems realized in high-coherence microwave cavities are a promising platform for quantum information processing. While strong dynamic nonlinear interactions are desired to implement fast and high-fidelity quantum operations, static cavity nonlinearities typically limit the performance of bosonic quantum error-correcting codes. Here we study theoretical models of nonlinear oscillators describing superconducting quantum circuits with asymmetric Josephson-junctions loops. Treating the nonlinearity as a perturbation, we derive effective Hamiltonians using the Schrieffer-Wolff transformation. We support our analytical results with numerical experiments and show that the effective Kerr-type couplings can be canceled by an interplay of higher-order nonlinearities. This can be better understood in a simplified model supporting only cubic and quartic nonlinearities. Our results show that a cubic interaction allows to increase the effective rates of both linear and nonlinear operations without an increase in the undesired anharmonicity of an oscillator which is crucial for many bosonic encodings.

Octupolar order and Ising quantum criticality tuned by strain and dimensionality: Application to d -orbital Mott insulators

Recent experiments have discovered multipolar orders in a variety of $d$-orbital Mott insulators. Motivated by uncovering the exchange interactions which underlie octupolar order proposed in the osmate double perovskites, we study a two-site model using exact diagonalization on a five-orbital Hamiltonian, incorporating spin-orbit coupling (SOC) and interactions, and including both intra-orbital and inter-orbital hopping. Using an exact Schrieffer-Wolff transformation, we then extract an effective pseudospin Hamiltonian for the non-Kramers doublets, uncovering dominant ferrooctupolar coupling driven by the interplay of two distinct intra-orbital hopping terms. Using classical Monte Carlo simulations on the face-centered cubic lattice, we obtain a ferrooctupolar transition temperature which is in good agreement with experiments on the osmate double perovskites. We also explore the impact of uniaxial strain and dimensional tuning via ultrathin films, which are shown to induce a transverse field on the Ising octupolar order. This suppresses $T_c$ and potentially allows one to access octupolar Ising quantum critical points. We discuss possible implications of our results for a broader class of materials which may host such non-Kramers doublet ions.

A Method to Compute the Schrieffer-Wolff Generator for Analysis of Quantum Memory.

Quantum illumination uses entangled light that consists of signal and idler modes to achieve higher detection rate of a low-reflective object in noisy environments. The best performance of quantum illumination can be achieved by measuring the returned signal mode together with the idler mode. Thus, it is necessary to prepare a quantum memory that can keep the idler mode ideal. To send a signal towards a long-distance target, entangled light in the microwave regime is used. There was a recent demonstration of a microwave quantum memory using microwave cavities coupled with a transmon qubit. We propose an ordering of bosonic operators to efficiently compute the Schrieffer–Wolff transformation generator to analyze the quantum memory. Our proposed method is applicable to a wide class of systems described by bosonic operators whose interaction part represents a definite number of transfer in quanta.

Coexistence of s- and d-wave gaps due to pair-hopping and exchange interactions

I investigate the superconductivity of the three-band t–J–U model derived from the three-band Hubbard model using the Schrieffer–Wolff transformation. My model is designed considering the hole-doped high-T c superconducting cuprate. The model does not exclude the double occupancy of Cu sites by d electrons, and there is a pair-hopping interaction between the d and p bands together with the exchange interaction. I analyse the superconducting transition temperature, electronic state, and superconducting gap function based on strong coupling theory and find that the superconductivity emerges due to the pair-hopping and exchange interactions via the Suhl-Kondo mechanism. In the superconducting state, the extended s- and -wave superconducting gaps coexist, where both charge fluctuations and d–p band hybridization are key ingredients.

Theory of BCS-like bogolon-mediated superconductivity in transition metal dichalcogenides

We report on a novel mechanism of BCS-like superconductivity, mediated by a pair of Bogoliubov quasiparticles (bogolons). It takes place in hybrid systems consisting of a two-dimensional electron gas in a transition metal dichalcogenide monolayer in the vicinity of a Bose–Einstein condensate. Taking a system of two-dimensional indirect excitons as a testing ground of Bose-Einstein condensate we show, that the bogolon-pair-mediated electron pairing mechanism is stronger than phonon-mediated and single bogolon-mediated ones. We develop a microscopic theory of bogolon-pair-mediated superconductivity, based on the Schrieffer–Wolff transformation and the Gor’kov’s equations, study the temperature dependence of the superconducting gap and estimate the critical temperature of superconducting transition for various electron concentrations in the electron gas and the condensate densities.

High-harmonic generation in one-dimensional Mott insulators

We study high-harmonic generation (HHG) in the one-dimensional Hubbard model in order to understand its relation to elementary excitations as well as the similarities and differences to semiconductors. The simulations are based on the infinite time-evolving block decimation (iTEBD) method and exact diagonalization. We clarify that the HHG originates from the doublon-holon recombination, and the scaling of the cutoff frequency is consistent with a linear dependence on the external field. We demonstrate that the subcycle features of the HHG can be reasonably described by a phenomenological three step model for a doublon-holon pair. We argue that the HHG in the one-dimensional Mott insulator is closely related to the dispersion of the doublon-holon pair with respect to its relative momentum, which is not necessarily captured by the single-particle spectrum due to the many-body nature of the elementary excitations. For the comparison to semiconductors, we introduce effective models obtained from the Schrieffer-Wolff transformation, i.e. a strong-coupling expansion, which allows us to disentangle the different processes involved in the Hubbard model: intraband dynamics of doublons and holons, interband dipole excitations, and spin exchanges. These demonstrate the formal similarity of the Mott system to the semiconductor models in the dipole gauge, and reveal that the spin dynamics, which does not directly affect the charge dynamics, can reduce the HHG intensity. We also show that the long-range component of the intraband dipole moment has a substantial effect on the HHG intensity, while the correlated hopping terms for the doublons and holons essentially determine the shape of the HHG spectrum. A new numerical method to evaluate single-particle spectra within the iTEBD method is also introduced.

Quantum to classical crossover of Floquet engineering in correlated quantum systems

Light-matter coupling involving classical and quantum light offers a wide range of possibilities to tune the electronic properties of correlated quantum materials. Two paradigmatic results are the dynamical localization of electrons and the ultrafast control of spin dynamics, which have been discussed within classical Floquet engineering and in the deep quantum regime where vacuum fluctuations modify the properties of materials. Here we discuss how these two extreme limits are interpolated by a cavity which is driven to the excited states. In particular, this is achieved by formulating a Schrieffer-Wolff transformation for the cavity-coupled system, which is mathematically analogous to its Floquet counterpart. Some of the extraordinary results of Floquet-engineering, such as the sign reversal of the exchange interaction or electronic tunneling, which are not obtained by coupling to a dark cavity, can already be realized with a single-photon state (no coherent states are needed). The analytic results are verified and extended with numerical simulations on a two-site Hubbard model coupled to a driven cavity mode. Our results generalize the well-established Floquet-engineering of correlated electrons to the regime of quantum light. It opens up a new pathway of controlling properties of quantum materials with high tunability and low energy dissipation.