The role of non-stoquasticity in the field of quantum annealing and adiabatic quantum computing is an actively debated topic. We study a strongly-frustrated quasi-one-dimensional quantum Ising model on a two-leg ladder to elucidate how a first-order
phase transition with a topological origin is affected by interactions of the $pm XX$-type. Such interactions are sometimes known as stoquastic (negative sign) and non-stoquastic (positive sign) catalysts. Carrying out a symmetry-preserving real-space renormalization group analysis and extensive density-matrix renormalization group computations, we show that the phase diagrams obtained by these two methods are in qualitative agreement with each other and reveal that the first-order quantum phase transition of a topological nature remains stable against the introduction of both $XX$-type catalysts. This is the first study of the effects of non-stoquasticity on a first-order phase transition between topologically distinct phases. Our results indicate that non-stoquastic catalysts are generally insufficient for removing topological obstacles in quantum annealing and adiabatic quantum computing.
Motivated by recent progress of quantum technologies, we study a discretized quantum adiabatic process for a one-dimensional free fermion system described by a variational wave function, i.e., a parametrized quantum circuit. The wave function is comp
osed of $M$ layers of two elementary sets of time-evolution operators, each set being decomposed into commutable local operators. The evolution time of each time-evolution operator is treated as a variational parameter so as to minimize the expectation value of the energy. We show that the exact ground state is reached by applying the layers of time-evolution operators as many as a quarter of the system size. This is the minimum number $M_B$ of layers set by the limit of speed, i.e., the Lieb-Robinson bound, for propagating quantum entanglement via the local time-evolution operators. Quantities such as the energy $E$ and the entanglement entropy $S$ of the optimized variational wave function with $M < M_B$ are independent of the system size $L$ but fall into some universal functions of $M$. The development of the entanglement in these ansatz is further manifested in the progressive propagation of single-particle orbitals in the variational wave function. We also find that the optimized variational parameters show a systematic structure that provides the optimum scheduling function in the quantum adiabatic process. We also investigate the imaginary-time evolution of this variational wave function, where the causality relation is absent due to the non-unitarity of the imaginary-time evolution operators, thus the norm of the wave function being no longer conserved. We find that the convergence to the exact ground state is exponentially fast, despite that the system is at the critical point, suggesting that implementation of the non-unitary imaginary-time evolution in a quantum circuit is highly promising to further shallow the circuit depth.
The ground state of a hole-doped t-t-J ladder with four legs favors a striped charge distribution. Spin excitation from the striped ground state is known to exhibit incommensurate spin excitation near q=(pi,pi) along the leg direction (qx direction).
However, an outward dispersion from the incommensurate position toward q=(0,pi) is strong in intensity, inconsistent with inelastic neutron scattering (INS) experiment in hole-doped cuprates. Motivated by this inconsistency, we use the t-t-J model with m x n=96 lattice sites by changing lattice geometry from four-leg (24x4) to rectangle (12x8) shape and investigate the dynamical spin structure factor by using the dynamical density matrix renormalization group. We find that the outward dispersion has weak spectral weights in the 12x8 lattice, accompanied with the decrease of excitation energy close to q=(pi,pi), being consistent with the INS data. In the 12x8 lattice, weakening of incommensurate spin correlation is realized even in the presence of the striped charge distribution. For further investigation of geometry related spin dynamics, we focus on direction dependent spin excitation reported by recent resonant inelastic x-ray scattering (RIXS) for cuprate superconductors and obtain a consistent result with RIXS by examining an 8x8 t-t-J square lattice.
The previous theoretical study has shown that pulse irradiation to the Mott insulating state in the Hubbard model can induce the enhancement of superconducting correlation due to the generation of $eta$ pairs. Here, we show that the same mechanism ca
n be applied to the Kondo lattice model, an effective model for heavy electron systems, by demonstrating that the pulse irradiation indeed enhances the $eta$-pairing correlation. As in the case of the Hubbard model, the non-linear optical process is essential to increase the number of photoinduced $eta$ pairs and thus the enhancement of the superconducting correlation. We also find the diffusive behavior of the spin dynamics after the pulse irradiation, suggesting that the increase of the number of $eta$ pairs leads to the decoupling between the conduction band and the localized spins in the Kondo lattice model, which is inseparably related to the photodoping effect.
We show that optical excitation of the Mott insulating phase of the one-dimensional Hubbard model can create a state possessing two of the hallmarks of superconductivity: a nonvanishing charge stiffness and long-ranged pairing correlation. By employi
ng the exact diagonalization method, we find that the superposition of the $eta$-pairing eigenstates induced by the optical pump exhibits a nonvanishing charge stiffness and a pairing correlation that decays very slowly with system size in sharp contrast to the behavior of an ensemble of thermally excited eigenstates, which has a vanishing charge stiffness and no long-ranged pairing correlations. We show that the charge stiffness is indeed directly associated with the $eta$-pairing correlation in the Hubbard model. Our finding demonstrates that optical pumping can actually lead to superconducting-like properties on the basis of the $eta$-pairing states.
An unbiased zero-temperature auxiliary-field quantum Monte Carlo method is employed to analyze the nature of the semimetallic phase of the two-dimensional Hubbard model on the honeycomb lattice at half filling. It is shown that the quasiparticle weig
ht $Z$ of the massless Dirac fermions at the Fermi level, which characterizes the coherence of zero-energy single-particle excitations, can be evaluated in terms of the long-distance equal-time single-particle Greens function. If this quantity remains finite in the thermodynamic limit, the low-energy single-particle excitations of the correlated semimetallic phase are described by a Fermi-liquid-type single-particle Greens function. Based on the unprecedentedly large-scale numerical simulations on finite-size clusters containing more than ten thousands sites, we show that the quasiparticle weight remains finite in the semimetallic phase below a critical interaction strength. This is also supported by the long-distance algebraic behavior ($sim r^{-2}$, where $r$ is distance) of the equal-time single-particle Greens function that is expected for the Fermi liquid. Our result thus provides a numerical confirmation of Fermi-liquid theory in two-dimensional correlated metals.
We investigate the microscopic mechanisms of the charge-density-wave (CDW) formation in a monolayer TiSe$_2$ using a realistic multiorbital $d$-$p$ model with electron-phonon coupling and intersite Coulomb (excitonic) interactions. First, we estimate
the tight-binding bands of Ti $3d$ and Se $4p$ orbitals in the monolayer TiSe$_2$ on the basis of the first-principles band structure calculations. We thereby show orbital textures of the undistorted band structure near the Fermi level. Next, we derive the electron-phonon coupling using the tight-binding approximation and show that the softening occurs in the transverse phonon mode at the M point of the Brillouin zone. The stability of the triple-$q$ CDW state is thus examined to show that the transverse phonon modes at the M$_1$, M$_2$, and M$_3$ points are frozen simultaneously. Then, we introduce the intersite Coulomb interactions between the nearest-neighbor Ti and Se atoms that lead to the excitonic instability between the valence Se $4p$ and conduction Ti $3d$ bands. Treating the intersite Coulomb interactions in the mean-field approximation, we show that the electron-phonon and excitonic interactions cooperatively stabilize the triple-$q$ CDW state in TiSe$_2$. We also calculate a single-particle spectrum in the CDW state and reproduce the band folding spectra observed in photoemission spectroscopies. Finally, to clarify the nature of the CDW state, we examine the electronic charge density distribution and show that the CDW state in TiSe$_2$ is of a bond-type and induces a vortex-like antiferroelectric polarization in the kagome network of Ti atoms.
The density matrix renormalization group method is applied to obtain the ground state phase diagram of the single impurity Anderson model on the honeycomb lattice at half filling. The calculation of local static quantities shows that the phase diagra
m contains two distinct phases, the local moment (LM) phase and the asymmetric strong coupling (ASC) phase. These results are supported by the local spin and charge excitation spectra, which exhibit qualitatively different behavior in these two phases and also reveal the existence of the valence fluctuating point at the phase boundary. For comparison, we also study the low-energy effective pseudogap Anderson model. Although the high-energy excitations are obviously different, we find that the ground state phase diagram and the asymptotically low-energy excitations are in good quantitative agreement with those for the single impurity Anderson model on the honeycomb lattice, thus providing the first quantitative justification for the previous studies based on low-energy approximate approaches. Furthermore, we find that the lowest entanglement level is doubly degenerate for the LM phase, whereas it is singlet for the ASC phase and is accidentally three fold degenerate at the valence fluctuating point. Our results therefore clearly demonstrate that the low-lying entanglement spectrum can be used to determine with high accuracy the phase boundary of the impurity quantum phase transition.
We theoretically study the Josephson effect in a superconductor/normal metal/superconductor ({it S}/{it N}/{it S}) Josephson junction composed of $s$-wave {it S}s with {it N} which is sandwiched by two ferromagnetic insulators ({it F}s), forming a sp
in valve, in the vertical direction of the junction. We show that the 0-$pi$ transition of the Josephson critical current occurs with increasing the thickness of {it N} along the junction. This transition is due to the magnetic proximity effect (MPE) which induces ferromagnetic magnetization in the {it N}. Moreover, we find that, even for fixed thickness of {it N}, the proposed Josephson junction with the spin valve can be switched from $pi$ to 0 states and vice versa by varying the magnetization configuration (parallel or antiparallel) of two {it F}s. We also examine the effect of spin-orbit scattering on the Josephson critical current and argue that the 0-$pi$ transition found here can be experimentally observed within the current nanofabrication techniques, thus indicating a promising potential of this junction as a 0-$pi$ switching device operated reversibly with varying the magnetic configuration in the spin valve by, e.g., applying an external magnetic field. %with the magnetization configuration in the spin valve. Our results not only provide possible applications in superconducting electronics but also suggest the importance of a fundamental concept of MPE in nanostructures of multilayer {it N}/{it F} systems.
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 dimension
s. 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 multi-orbital Anderson impurity model. 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: (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 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. 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 of absence of unscreened magnetic moment at the impurity site, the spin-spin correlation functions decay as $r^{-3}$, differently from the non-interacting limit ($r^{-2}$), for model (i) and as $ r^{-4}$, exactly the same as the non-interacting limit, for models (ii) and (iii) in the asymptotic $r$, where $r$ is the distance between the impurity site and the conduction site.
