Pair Hopping Interaction Research Articles

Revisiting electromagnetic response of superconductors in mean-field approximation

In the standard mean-field treatment of superconductors, the electron-electron interactions are assumed to be written in terms of local density operators. However, more general interactions, such as pair-hopping interactions, may exist or may be generated in a low-energy effective Hamiltonian. In this work, we study the effect of correlated hopping interactions toward the electromagnetic response of superconductors. When only the Hamiltonian after the mean-field approximation is provided, one cannot unambiguously determine its electromagnetic response whenever such interactions are allowed. This work demonstrates that such interactions induce additional terms in the current operator, leading to modifications in the Meissner weight and optical conductivities that deviate from conventional expectations. These results underscore the need for caution when incorporating gauge fields into the Bogoliubov–de Gennes Hamiltonian. Published by the American Physical Society 2024

What can lattice DFT teach us about real-space DFT?

In this paper we establish a connection between density functional theory (DFT) for lattice models and common real-space DFT. We consider the lattice DFT description of a two-level model subject to generic interactions in Mermin's DFT formulation in the grand canonical ensemble at finite temperature. The case of only density-density and Hund's rule interaction studied in earlier work is shown to be equivalent to an exact-exchange description of DFT in the real-space picture. In addition, we also include the so-called pair-hopping interaction which can be treated analytically and, crucially, leads to non-integer occupations of the Kohn-Sham (KS) levels even in the limit of zero temperature. Treating the hydrogen molecule in a minimal basis is shown to be equivalent to our two-level lattice DFT model. By means of the fractional occupations of the KS orbitals (which, in this case, are identical to the many-body ones) we reproduce the results of full configuration interaction, even in the dissociation limit and without breaking the spin symmetry. Beyond the minimal basis, we embed our HOMO-LUMO model into a standard DFT calculation and, again, obtain results in overall good agreement with exact ones without the need of breaking the spin symmetry.

Enhanced Spin–Orbit Coupling in a Correlated Metal

We investigate the correlation effects on spin-orbit coupling (SOC) in a two-orbital Hubbard model on a square lattice by applying the variational Monte Carlo method. We consider an effective SOC constant $\lambda_{\text{eff}}$ in the one-body part of the variational wave function and mainly discuss the cases of the electron number per site $n=1$, that is, quarter filling. We find that $\lambda_{\text{eff}}$ is proportional to the bare value $\lambda$ and depends on the electron-electron interactions through $(U'-J')$ in a relatively wide parameter range in the paramagnetic (PM) phase, where $U'$ is the interorbital Coulomb interaction and $J'$ is the pair hopping interaction. Increasing the electron-electron interactions in the PM phase leads to a transition to an effective one-band state, in which the upper band becomes empty due to the enhanced $\lambda_{\text{eff}}$. We also construct phase diagrams considering magnetic order. The carrier doping effect on $\lambda_{\text{eff}}$ is also investigated. We find that $\lambda_{\text{eff}}$ enhances in a strongly correlated region around the Mott transition point and it is necessary to include the correlation effects beyond the Hartree-Fock approximation to describe the enhanced SOC properly.

Two-fluid coexistence and phase separation in a one-dimensional model with pair hopping and density interactions

We compute the phase diagram of a one-dimensional model of spinless fermions with pair-hopping and nearest-neighbor interaction, first introduced by Ruhman and Altman, using the density-matrix renormalization group combined with various analytical approaches. Although the main phases are a Luttinger liquid of fermions and a Luttinger liquid of pairs, we also find remarkable phases in which only a fraction of the fermions are paired. In such case, two situations arise: either fermions and pairs coexist spatially in a two-fluid mixture, or they are spatially segregated leading to phase separation. These results are supported by several analytical models that describe in an accurate way various relevant cuts of the phase diagram. Last, we identify relevant microscopic observables that capture the presence of these two fluids: while originally introduced in a phenomenological way, they support a wider application of two-fluid models for describing pairing phenomena.

Thermodynamic and electromagnetic properties of the eta-pairing superconductivity in the Penson–Kolb model

In the paper, we study the thermodynamic and electromagnetic properties of the Penson–Kolb (PK) model, i.e., the tight-binding model for fermionic particles with the pair-hopping interaction J. We focus on the case of repulsive J (i.e., J<0), which can stabilize the eta-pairing superconductivity with Cooper-pair center-of-mass momentum q→=Q→, Q→=(π/a,π/a,…). Numerical calculations are performed for several d-dimensional hypercubic lattices: d=2 (the square lattice, SQ), d=3 (the simple cubic lattice) and d=∞ hypercubic lattice (for arbitrary particle concentration 0<n<2 and temperature T). The ground state J versus n phase diagrams and the crossover to the Bose–Einstein condensation regime are analyzed and the evolution of the superfluid characteristics are examined within the (broken symmetry) Hartree–Fock approximation (HFA). The critical fields, the coherence length, the London penetration depth, and the Ginzburg ratio are determined at T=0 and T>0 as a function of n and pairing strength. The analysis of the effects of the Fock term on the ground state phase boundaries and on selected PK model characteristics is performed as well as the influence of the phase fluctuations on the eta-pairing superconductivity is investigated. Within the Kosterlitz–Thouless scenario, the critical temperatures TKT are estimated for d=2 SQ lattice and compared with the critical temperature Tc obtained from HFA. We also determine the temperature Tm at which minimal gap between two quasiparticle bands vanishes in the eta-phase. Our results for repulsive J are contrasted with those found earlier for the PK model with attractive J (i.e., with J>0).

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.

Competing electronic orders on a heavily doped honeycomb lattice with enhanced exchange coupling

Motivated by recent discovery of correlated insulating and superconducting behavior in twisted bilayer graphene, we revisit graphene's honeycomb lattice doped close to the van Hove singularity, using the truncated unity functional renormalization group approach. We consider an extended Hubbard model on the honeycomb lattice including on-site and nearest-neighbor Coulomb repulsions, and nearest-neighbor ferromagnetic exchange and pair hopping interactions. By varying the strength of the nearest-neighbor exchange coupling and Coulomb repulsion as free parameters, we present rich ground-state phase diagrams which contain the spin-triplet $f$-wave and spin-singlet chiral $d$-wave superconducting phases, the commensurate and incommensurate spin- and charge-density-wave phases, and the ferromagnetic phase. In the absence of the exchange coupling and for small value of the nearest-neighbor repulsion, the four-sublattice spin-density-wave phase is generated right around the van Hove filling, while the chiral $d$-wave superconductivity emerges slightly away from it. Surprisingly, the chiral $d$-wave superconductivity is strongly suppressed by weak nearest-neighbor exchange coupling in our calculations. We argue that this suppression might be one of the reasons why the chiral superconductivity proposed for doped graphene has not yet been observed experimentally.

Novel Quantum Phases of Two-Component Bosons with Pair Hopping in Synthetic Dimension.

We study two-component (or pseudospin-1/2) bosons with pair hopping interactions in synthetic dimension, for which a feasible experimental scheme on a square optical lattice is also presented. Previous studies have shown that two-component bosons with on-site interspecies interaction can only generate nontrivial interspecies paired superfluid (super-counter-fluidity or pair-superfluid) states. In contrast, apart from interspecies paired superfluid, we reveal two new phases by considering this additional pair hopping interaction. These novel phases are intraspecies paired superfluid (molecular superfluid) and an exotic noninteger Mott insulator which shows a noninteger atom number at each site for each species, but an integer for total atom number.

Pseudo-spin rotation symmetry breaking by Coulomb interaction terms in spin–orbit coupled systems

By transforming from the pure-spin-orbital (t 2g) basis to the spin-orbital entangled pseudo-spin-orbital basis, the pseudo-spin rotation symmetry of the different Coulomb interaction terms is investigated under SU(2) transformation in pseudo-spin space. While the Hubbard and density interaction terms are invariant, the Hund’s coupling and pair-hopping interaction terms explicitly break pseudo-spin rotation symmetry systematically. The form of the symmetry-breaking terms obtained from the transformation of the Coulomb interaction terms accounts for the easy x–y plane anisotropy and magnon gap for the out-of-plane mode, highlighting the importance of mixing with the nominally non-magnetic J = 3/2 sector, and providing a physically transparent approach for investigating magnetic ordering and anisotropy effects in perovskite (Sr2IrO4) and other d 5 pseudo-spin compounds.

Doublon-holon excitations split by Hund's rule coupling within the orbital-selective Mott phase

Multiorbital interactions have the capacity to produce an interesting kind of doublon-holon bound state that consists of a single-hole state in one band and a doubly-occupied state in another band. Interband doublon-holon pair excitations in the two-orbital Hubbard model are studied by using dynamical mean-field theory with the Lanczos method as the impurity solver. We find that the interband bound states may provide several in-gap quasiparticle peaks in the density of states of the narrow band in the orbital-selective Mott phase with a small Hund's rule coupling ($J$). There exists a corresponding energy relation between the in-gap states of the narrow band and the peaks in the excitation spectrum of the doublon for the wide band. We also find that the spin flip and pair-hopping Hund interactions can divide one quasiparticle peak into two peaks, where the splitting energy increases linearly with increasing $J$. Strong Hund's rule coupling can move the interband doublon-holon pair excitations outside the Mott gap and restrict the bound states by suppressing the orbital selectivity of the doubly-occupied and single-hole states.

Effect of exchange interaction on electronic instabilities in the honeycomb lattice: A functional renormalization group study

The impact of local and nonlocal density-density interactions on the electronic instabilities in the honeycomb lattice is widely investigated. Some early studies proposed the emergence of interaction-induced topologically nontrivial phases, but recently, it was denied in several works including renormalization group calculations with refined momentum resolution. We use the truncated unity functional renormalization group to study the many-body instabilities of electrons on the half-filled honeycomb lattice, focusing on the effect of the exchange interaction. We show that varying the next-nearest-neighbor repulsion and nearest-neighbor exchange integral can lead to diverse ordered phases, namely, the quantum spin Hall, the spin-Kekul\'e, and some spin- and charge-density-wave phases. The quantum spin Hall phase can be induced by a combination of the ferromagnetic exchange and pair hopping interactions. Another exotic phase, the spin-Kekul\'e phase, develops in a very small region of the parameter space considered. We encounter the three-sublattice charge-density-wave phase in a large part of the parameter space. It is replaced by the incommensurate charge density wave when increasing the exchange integral. In order to reduce the computational effort, we derive the explicit symmetry relations for the bosonic propagators of the effective interaction and propose a linear-response-based approach for identifying the form factor of order parameter. Their efficiencies are confirmed by numerical calculations in our work.

Phase transition in the one-dimensional pair-hopping model with unusual one-electron hopping

By modifying the conventional one-electron hopping behavior, we study effects of an occupation-dependent hopping on the ground state of the half-filled one-dimensional pair-hopping model. At weak coupling, the use of bosonization and renormalization-group analysis techniques helps to derive the phase diagram. Such unusual hopping is shown to drive a spin-gap transition and to introduce a new region where the triplet superconducting instability dominates for positively small pair-hopping interaction.

Ground State Phase Diagram of the Extended Hubbard Model with Pair-Hopping Interaction in the Limit of Very Narrow Bandwidth

Ground State Phase Diagram of the Extended Hubbard Model with Pair-Hopping Interaction in the Limit of Very Narrow Bandwidth

Phase Diagrams of the Penson-Kolb-Hubbard Model with Repulsive Pair-Hopping Interaction

We study the extended Hubbard model with on-site density‐densityU and intersite pair hoppingJ interactions, i.e. the Penson‐Kolb‐Hubbard model. This report focuses mainly on the properties of the model at T 0 in the case of repulsive J (J < 0) which may stabilize superconductivity with -pairing. The analysis is performed within the (broken symmetry) Hartree‐Fock approximation for arbitrary interaction parameters (J < 0 and U) and electron concentration (0 < n < 2) on the d = 2 square lattice. The phase diagrams of the model at T = 0 and at finite temperatures are examined taking into account magnetic and charge-ordered phases and superconducting states with - and s-wave pairing. DOI: 10.12693/APhysPolA.130.613

Ground State Phase Properties of the Penson-Kolb-Hubbard Model with Attractive Pair-Hopping Interaction

We study the ground state phase diagrams of the extended Hubbard model with the pair hopping interaction J , i.e. the Penson Kolb Hubbard model. We concentrate on the case of attractive J (J > 0) which can stabilise s-wave pairing superconductivity in the system and competes with the on-site repulsive U . The evolution of the phase diagrams and order parameters for arbitrary electron density and representative values of the interaction parameters are analyzed within the (broken symmetry) Hartree Fock approximation. The calculations are performed for the case of nearest-neighbors electron hopping t on the d = 2 square lattice.

Ground State Phase Diagrams of the Extended Hubbard Model with Repulsive Pair-Hopping Interaction for Nonfrustrated 2D Lattice

We analyze the extended Hubbard model with pair hopping interaction J , i.e. the Penson Kolb Hubbard model, in the case of repulsive J (J < 0) within the (broken symmetry) Hartree Fock approximation. We focus our study on the e ects of on-site U interaction on the mutual stability of magnetic, charge-ordered, and superconducting states including the eta-pairing phase, i.e. the state with the Cooper-pair center-of-mass momentum q = Q. The ground state phase diagrams are obtained for arbitrary particle concentration n on nonfrustrated d = 2 square lattice.

Block Lanczos density-matrix renormalization group method for general Anderson impurity models: Application to magnetic impurity problems in graphene

We introduce a block Lanczos (BL) recursive technique to construct quasi-one-dimensional models, suitable for density-matrix renormalization group (DMRG) calculations, from single- as well as multiple-impurity Anderson models in any spatial dimensions. This new scheme, named BL-DMRG method, allows us to calculate not only local but also spatially dependent static and dynamical quantities of the ground state for general Anderson impurity models without losing elaborate geometrical information of the lattice. We show that the BL-DMRG method can be easily extended to treat a multiorbital Anderson impurity model where not only inter- and intraorbital Coulomb interactions but also Hund's coupling and pair hopping interactions are included. We also show that the symmetry adapted BL bases can be utilized, when it is appropriate, to reduce the computational cost. As a demonstration, we apply the BL-DMRG method to three different models for graphene with a structural defect and with a single hydrogen or fluorine absorbed, where a single Anderson impurity is coupled to conduction electrons in the honeycomb lattice. These models include (i) a single adatom on the honeycomb lattice, (ii) a substitutional impurity in the honeycomb lattice, and (iii) an effective model for a single carbon vacancy in graphene. Our analysis of the local dynamical magnetic susceptibility and the local density of states at the impurity site reveals that, for the particle-hole symmetric case at half-filling of electron density, the ground state of model (i) behaves as an isolated magnetic impurity with no Kondo screening, while the ground state of the other two models forms a spin-singlet state where the impurity moment is screened by the conduction electrons. We also calculate the real-space dependence of the spin-spin correlation functions between the impurity site and the conduction sites for these three models. Our results clearly show that, reflecting the presence or absence of unscreened magnetic moment at the impurity site, the spin-spin correlation functions decay as $\ensuremath{\propto}$ ${r}^{\ensuremath{-}3}$, differently from the noninteracting limit ($\ensuremath{\propto}$ ${r}^{\ensuremath{-}2}$), for model (i) and as $\ensuremath{\propto}$ ${r}^{\ensuremath{-}4}$, exactly the same as the noninteracting limit, for models (ii) and (iii) in the asymptotic $r$, where $r$ is the distance between the impurity site and the conduction site. Finally, based on our results, we shed light on recent experiments on graphene where the formation of local magnetic moments as well as the Kondo-like behavior have been observed.

Multiorbital cluster dynamical mean-field theory with an improved continuous-time quantum Monte Carlo algorithm

We implement a multi-orbital cluster dynamical mean-field theory (DMFT), by improving a sample-update algorithm in the continuous-time quantum Monte Carlo method based on the interaction expansion. The proposed sampling scheme for the spin-flip and pair-hopping interactions in the two-orbital systems mitigates the sign problem, giving an efficient way to deal with these interactions. In particular, in the single-site DMFT, we see that the negative signs vanish. We apply the method to the two-dimensional two-orbital Hubbard model at half filling, where we take into account the short-range spatial correlation effects within a four-site cluster. We show that, compared to the single-site DMFT results, the critical interaction value for the metal-insulator transition decreases and that the effects of the spin-flip and pair-hopping terms are less significant in the parameter region we have studied. The present method provides a firm starting point for the study of inter-site correlations in multi-orbital systems. It also has a wide applicable scope in terms of realistic calculations in conjunction with density functional theory.

Modulating effect of pair-hopping and spin exchange interactions on a half-filled generalized U–V chain

In this paper, we study analytically a half-filled generalized Hubbard chain with a quite general nearest-neighbor interaction, parametrized by diagonal repulsion V, off-diagonal pair-hopping and correlated-hopping repulsions W, X and antiferromagnetic spin exchange J for small values of the interactions. The ground state phase diagram is obtained in the weak-coupling regime. Besides the charge-density-wave (CDW) and spin-density-wave (SDW) phases for large 2V/U and U/2V, respectively, we identify a bond-spin-density-wave (BSDW) for J/W &lt; 2, 3J/2 - 2W &lt; 2V - U &lt; 2W - J/2 and bond-charge-density-wave (BCDW) phase for J/W &gt; 2, 2W - J/2 &lt; 2V - U &lt; 3J/2 - 2W. The modulating effect of W and J is responsible for the emergence of BSDW and BCDW phases, which, however, are decreased weakly by the Umklapp scattering of parallel-spin electrons.

Majorana Edge States in Atomic Wires Coupled by Pair Hopping

We present evidence for Majorana edge states in a number conserving theory describing a system of spinless fermions on two wires that are coupled by pair hopping. Our analysis is based on a combination of a qualitative low energy approach and numerical techniques using the density matrix renormalization group. In addition, we discuss an experimental realization of pair-hopping interactions in cold atom gases confined in optical lattices.