Two-time Green Function Research Articles

Analyzing and predicting non-equilibrium many-body dynamics via dynamic mode decomposition

Simulating the dynamics of a nonequilibrium quantum many-body system by computing the two-time Green's function associated with such a system is computationally challenging. However, we are often interested in the time-diagonal of such a Green's function or time-dependent physical observables that are functions of one time. In this paper, we discuss the possibility of using dynamic mode decomposition (DMD), a data-driven model order reduction technique, to characterize one-time observables associated with the nonequilibrium dynamics using snapshots computed within a small time window. The DMD method allows us to efficiently predict long time dynamics from a limited number of trajectory samples. We demonstrate the effectiveness of DMD on a model two-band system. We show that, in the equilibrium limit, the DMD analysis yields results that are consistent with those produced from a linear response analysis. In the nonequilibrium case, the extrapolated dynamics produced by DMD is more accurate than a special Fourier extrapolation scheme presented in this paper. We point out a potential pitfall of the standard DMD method caused by insufficient spatial/momentum resolution of the discretization scheme. We show how this problem can be overcome by using a variant of the DMD method known as higher order DMD.

Dome-shaped phase diagram in the spin-1 XY ferromagnet with biquadratic exchange and longitudinal easy-axis crystal field

We investigate the phase diagram of a spin-1 ferromagnetic XY model in the presence of a longitudinal easy-axis crystal field assuming bilinear (J) and biquadratic (I) exchange interactions between nearest neighbors spins and using the two-time Green Functions framework at the level of the Devlin strategy. Employing both analytical estimates and numerical calculations, we find that the structure of the crystal-field-induced phase boundary changes sensibly as the ratio alpha = I/J increases. In particular, when alpha overcomes a characteristic value alpha ^*, two quantum critical points appear which are connected by a dome-shaped critical line. Due to the paradigmatic nature of the anisotropic spin model here considered, we believe that our findings may provide useful insights into the physical origin of recent experimental results found for some innovative materials which exhibit two quantum critical points and dome-shaped phase diagrams induced by non-thermal control parameters driving a non-conventional quantum criticality.Graphic abstract

Devlin-like approach to a spin-1 transverse XY model with biquadratic exchange and single-ion anisotropy

The effect of the biquadratic exchange interaction on the phase diagram of a d-dimensional spin-1 transverse XY model with easy-axis single-ion anisotropy is studied by employing the Devlin-like two-time Green functions framework. The chain of equations of motion is closed adopting the random phase approximation for the exchange higher order Green functions and treating exactly the crystal-field anisotropy terms. For short-range interactions and d > 2, analytical estimates and numerical calculations predict a reentrant behavior of the critical lines close to the magnetic-field-induced quantum critical point for appropriate values of the single-ion anisotropy parameter and suitable combinations of the bilinear and biquadratic exchange couplings. Remarkably, increasing the biquadratic exchange reduces or destroies the reentrant character of the quantum critical lines, in qualitative agreement with the findings of the Anderson-Callen-like strategy. In our formalism, the easy-plane anisotropy case can be studied similarly but the phase diagram and the quantum critical scenario do not present any reentrant phenomena.

Spectra of Collective Excitations and Low-Frequency Asymptotics of Green’s Functions in Uniaxial and Biaxial Ferrimagnetics

The paper studies the dynamic description of uniaxial and biaxial ferrimagnetics with spin s=1/2 in alternative external field. The nonlinear dynamic equations with sources are obtained, on basis on which low-frequency asymptotics of two-time Green functions in the uniaxial and biaxial cases of the ferrimagnet are obtained. Energy models are constructed that are specific functions of Casimir invariants of the algebra of Poisson brackets for magnetic degrees of freedom. On their basis, the question of the stable magnetic states has been solved for the considered systems. These equations were linearized, an explicit form of the collective excitations spectra was found, and their character was analyzed. The article studies the uniaxial case of a ferrimagnet, as well as biaxial cases of an antiferromagnet, easy-axis and easy-plane ferrimagnets. It is shown that for a uniaxial antiferromagnet the spectrum of magnetic excitations has a Goldstone character. For biaxial ferrimagnetic materials, it was found that the spectrum has either a quadratic character or a more complex dependence on the wave vector. It is shown that in the uniaxial case of an antiferromagnet the Green function of the type Gsα,sβ(k,0), Gsα,nβ(k,0) and Gsα,sβ(0,ω) have regular asymptotic behavior, and the Green function of type Gnα,nβ(k,0)≈1/k2 and Gsα,nβ(0,ω)≈1/ω, Gnα,nβ(0,ω)≈1/ω2 have a pole feature in the wave vector and frequency. Biaxial ferrimagnetic states have another type of the features of low-frequency asymptotics of the Green's functions. In the case of a ferrimagnet, the “easy-axis” of the asymptotic behavior of the Green functions Gsα,sβ(0,ω), Gsα,nβ(0,ω), Gnα,nβ(0,ω), Gsα,sβ(k,0), Gsα,nβ(k,0), Gnα,nβ(k,0) have a pole character. For the case of the “easy-plane” type ferrimagnet, the asymptotics of the Green functions Gsα,nβ(0,ω), Gnα,nβ(0,ω), Gsα,nβ(k,0), Gnα,nβ(k,0), have a pole character, and the Green function Gsα,sβ(k,ω) contains both the pole component and the regular part. A comparative analysis of the low-frequency asymptotics of Green functions shows that the nature of magnetic anisotropy significantly effects the structure of low-frequency asymptotics for uniaxial and biaxial cases of ferrimagnet. Separately, we note the non-Bogolyubov character of the Green function asymptotics for ferrimagnet with biaxial anisotropy Gnα,nβ(k,0)≈1/k4.

Effect of biquadratic exchange on the phase diagram of a spin-1 transverse XY model with single-ion anisotropy

The two-time Green function method is employed to explore the effect of the biquadratic exchange interaction on the phase diagram of a $d$-dimensional spin-1 transverse XY model with single-ion anisotropy close to the magnetic-field-induced quantum critical point. We work at level of the Anderson-Callen-decoupling-like framework for both easy-plane and easy-axis single-ion anisotropy. The structure of the phase diagram is analyzed with analytical estimates and numerical calculations by adopting Tyablikov-like decouplings for the exchange higher order Green functions in the equation of motion. For dominant bilinear short-range exchange interaction the structure of the phase diagram close to the quantum critical point remains qualitatively the same of that in absence of biquadratic interaction including reentrant critical lines. When the biquadratic exchange becomes increasingly dominant its role appears more effective and tends to reduce or destroy the reentrant character of the critical lines.

Projective truncation approximation for equations of motion of two-time Green's functions

In the equation of motion approach to the two-time Green's functions, conventional Tyablikov-type truncation of the chain of equations is rather arbitrary and apt to violate the analytical structure of Green's functions. Here, we propose a practical way to truncate the equations of motion using operator projection. The partial projection approximation is introduced to evaluate the Liouville matrix. It guarantees the causality of Green's functions, fulfills the time translation invariance and the particle-hole symmetry, and is easy to implement in a computer. To benchmark this method, we study the Anderson impurity model using the operator basis at the level of Lacroix approximation. Improvement over conventional Lacroix approximation is observed. The distribution of Kondo screening in the energy space is studied using this method.

Spectra of collective excitations and low-frequency asymptotics of Green's functions for degenerate states in magnets with spin s = 1

A phenomenological description of how the non-equilibrium degenerate states of one- and multi-sublattice magnets with spin s = 1 evolve in an external field. Dynamic equations for the magnetic degrees of freedom are obtained, based on which low-frequency asymptotics of two-time Green's functions are calculated. The spectra of collective excitations for ferromagnet, quadruple magnet, and spin nematic states are found. A comparative analysis of these asymptotics of Green's functions is carried out, and the nature of the magnetic anisotropy caused by the unitary symmetry of the exchange interaction is clarified.

Reentrant behaviors in the phase diagram of spin-1 planar ferromagnet with single-ion anisotropy

We used the two-time Green function framework to investigate the role played by the easy-axis single-ion anisotropy on the phase diagram of (d>2)-dimensional spin-1planar ferromagnets, which exhibit a magnetic field induced quantum phase transition. We tackled the problem using two different kind of approximations: the Anderson-Callen decoupling scheme and the Devlin approach. In the latter scheme, the exchange anisotropy terms in the equations of motion are treated at the Tyablikov decoupling level while the crystal field anisotropy contribution is handled exactly. The emerging key result is a reentrant structure of the phase diagram close to the quantum critical point, for certain values of the single-ion anisotropy parameter. We compare the results obtained within the two approximation schemes. In particular, we recover the same qualitative behavior. We show the phase diagram, close to the field-induced quantum critical point and the behavior of the susceptibility for different values of the single-ion anisotropy parameter, enhancing the differences between the two different scenarios (i.e. with and without reentrant behavior).

Reentrant behaviors in the phase diagram of spin-1 planar ferromagnets with easy-axis single-ion anisotropy via the Devlin two-time Green function framework

The Devlin two-time Green function framework is used to investigate the role played by the easy-axis single-ion anisotropy on the phase diagram of (d>2)-dimensional spin-1 planar ferromagnets which exhibit a magnetic-field-induced quantum phase transition (QPT). In this scheme, the exchange anisotropy terms in the equations of motion are treated at the Tyablikov decoupling level while the crystal field anisotropy contribution is handled exactly. The emerging key result is a reentrant structure of the phase diagram close to the quantum critical point for a well defined window of values of the single-ion anisotropy parameter. This experimentally interesting feature was recently recovered by employing the Anderson-Callen decoupling (ACD) which is considered to provide meaningful results only for small values of the single-ion anisotropy parameter. In this context, our findings suggest that the simplest ACD treatment offers the possibility to have, at least qualitatively, a correct physical scenario of quantum criticality close to a field-induced QPT avoiding the limiting mathematical difficulties involved in the Devlin scheme.

Diffusion mobility of the hydrogen atom with allowance for the anharmonic attenuation of migrating atom state

Evolution of vibration relaxation of hydrogen atoms in metals with the close-packed lattice at high and medium temperatures is investigated based on non-equilibrium statistical thermodynamics, in that number on using the retarded two-time Green function method. In accordance with main kinetic equation – the generalized Fokker- Plank- Kolmogorov equation, anharmonism of hydrogen atoms vibration in potential wells does not make any contribution to collision effects. It influences the relaxation processes at the expense of interference of fourth order anharmonism with single-phonon scattering on impurity hydrogen atoms. Therefore, the total relaxation time of vibration energy of system metal-hydrogen is written as a product of two factors: relaxation time of system in harmonic approximation and dimensionless anharmonic attenuation of quantum hydrogen state.

Paramagnetic susceptibility and correlation functions of a [formula omitted]-dimensional classical Heisenberg ferromagnet via the two-time Green function method

In the present paper we investigate the paramagnetic susceptibility and the short-range order correlation functions of a d-dimensional classical isotropic ferromagnetic Heisenberg model with short-range exchange interactions by employing the two-time Green function method in classical statistical mechanics. Here we use Tyablikov–Callen-like decouplings for higher order Green functions and a formula for magnetization recently obtained by extension of the well known Callen method developed many years ago for the quantum isotropic Heisenberg model. Although our analysis is true for any temperature and dimensionality, we focus on one-, and some two- and three-dimensional lattices of experimental interest and derive asymptotic expressions for susceptibility and correlation functions within the paramagnetic phase close to the phase boundary and in the high-temperature regime. Besides, we present a Fourier series expansion method for deriving the high-temperature behaviors of the correlation functions. Our predictions, as obtained from a genuine classical many-body framework, may constitute a good reference point for the quantum counterparts emerging in the classical limit at the same level of approximation. Of course, although the classical spin models have unrealistic properties at sufficiently low temperatures, our classical analysis provides, in a relatively simple way as compared to a quantum treatment, an experimentally interesting scenario at finite temperature and dimensionalities d≥1.

Adiabatic Green's function technique and transient behavior in time-dependent fermion-boson coupled models

The Lang-Firsov Hamiltonian, a well-known solvable model of interacting fermion-boson system with sideband features in the fermion spectral weight, is generalized to have the time-dependent fermion-boson coupling constant. We show how to derive the two-time Green's function for the time-dependent problem in the adiabatic limit, defined as the slow temporal variation of the coupling over the characteristic oscillator period. The idea we use in deriving the Green's function is akin to the use of instantaneous basis states in solving the adiabatic evolution problem in quantum mechanics. With such "adiabatic Green's function" at hand we analyze the transient behavior of the spectral weight as the coupling is gradually tuned to zero. Time-dependent generalization of a related model, the spin-boson Hamiltonian, is analyzed in the same way. In both cases the sidebands arising from the fermion-boson coupling can be seen to gradually lose their spectral weights over time. Connections of our solution to the two-dimensional Dirac electrons coupled to quantized photons are discussed.

Real-time Kadanoff-Baym approach to nuclear response functions

Linear density response functions are calculated for symmetric nuclear matter of normal density by time-evolving two-time Green's functions in real time. Of particular interest is the effect of correlations. The system is therefore initially time-evolved with a collision term calculated in a direct Born approximation until fully correlated. An external time-dependent potential is then applied. The ensuing density fluctuations are recorded to calculate the density response. This method was previously used by Kwong and Bonitz for studying plasma oscillations in a correlated electron gas. The energy-weighted sum-rule for the response function is guaranteed by using conserving self-energy insertions as the method then generates the full vertex-functions. These can alternatively be calculated by solving a Bethe -Salpeter equation as done in works by Bozek et al. The (first order) mean field is derived from a momentum-dependent (non-local) interaction while 2nd order self-energies are calculated using a particle-hole two-body effective (or residual) interaction given by a gaussian local potential.We show results of calculations of the response function S(ɷ,q0) for q0 = 0.2, 0.4 and 0.8fm-1. Comparison is made with the nucleons being un-correlated i.e. with only the first order mean field included.We discuss the relation of our work with the Landau quasi-particle theory as applied to nuclear systems by Babu and Brown and followers.

Quantum criticality of a spin-1 XY model with easy-plane single-ion anisotropy via a two-time Green function approach avoiding the Anderson–Callen decoupling

In this work we study the quantum phase transition, the phase diagram and the quantum criticality induced by the easy-plane single-ion anisotropy in a d-dimensional quantum spin-1 XY model in absence of an external longitudinal magnetic field. We employ the two-time Green function method by avoiding the Anderson–Callen decoupling of spin operators at the same sites which is of doubtful accuracy. Following the original Devlin procedure we treat exactly the higher order single-site anisotropy Green functions and use Tyablikov-like decouplings for the exchange higher order ones. The related self-consistent equations appear suitable for an analysis of the thermodynamic properties at and around second order phase transition points. Remarkably, the equivalence between the microscopic spin model and the continuous O(2)-vector model with transverse-Ising model (TIM)-like dynamics, characterized by a dynamic critical exponent z=1, emerges at low temperatures close to the quantum critical point with the single-ion anisotropy parameter D as the non-thermal control parameter. The zero-temperature critic anisotropy parameter Dc is obtained for dimensionalities d>1 as a function of the microscopic exchange coupling parameter and the related numerical data for different lattices are found to be in reasonable agreement with those obtained by means of alternative analytical and numerical methods. For d>2, and in particular for d=3, we determine the finite-temperature critical line ending in the quantum critical point and the related TIM-like shift exponent, consistently with recent renormalization group predictions. The main crossover lines between different asymptotic regimes around the quantum critical point are also estimated providing a global phase diagram and a quantum criticality very similar to the conventional ones.

Magnetic-field-induced quantum criticality in a planar ferromagnet with single-ion anisotropy

We analyze the effects induced by single-ion anisotropy on quantum criticality in a d-dimensional spin-3/2 planar ferromagnet. To tackle this problem we employ the two-time Green's function method, using the Tyablikov decoupling for exchange interactions and the Anderson-Callen decoupling for single-ion anisotropy. In our analysis the role of non-thermal control parameter which drives the quantum phase transition is played by a longitudinal external magnetic field. We find that the single-ion anisotropy has substantial effects on the structure of the phase diagram close to the quantum critical point.

Reentrant phenomena in a three-dimensional spin-1 planar ferromagnet with easy-axis single-ion anisotropy

The two-time Green function method is employed to explore the phase diagram and the magnetic-field-induced quantum criticality of a three-dimensional spin-one planar ferromagnet with easy-axis single-ion anisotropy. We adopt the Tyablikov and Anderson-Callen decouplings for higher order exchange and single-ion anisotropy Green functions, respectively. The central finding is that, within a characteristic range of the anisotropy parameter values, reentrant phenomena occur in the phase diagram close to the quantum critical point producing a sensible change of the conventional quantum critical scenario.

UNIFORM COULOMB FIELD AS ORIGIN OF "FERMI ARCS" IN AN ANISOTROPIC BOSON-FERMION GAS MIXTURE

A recent boson-fermion (BF) binary gas mixture model is extended to include: (i) anisotropy of the BF interaction and (ii) momentum-independent Coulomb repulsions. It is applied to account for the peculiarities of the pseudogap observed as function of absolute temperature T and concentration x of holes doped onto the CuO 2 planes and to study the further transformation of the pseudogap into the real superconducting gap, as T is lowered. Using two-time Green functions it is shown that pair breakings depend on the separation between the boson and fermion spectra of the BF mixture. As this separation shrinks, the pair-breaking ability of the Coulomb interaction weakens and disappears at the BEC Tc, i.e., at the T below which a complete softening of bosons occurs. Simultaneous inclusion of both effects (i) and (ii) produces, as T is lowered, "islands" in momentum space of incoherent Cooper pairs above the Fermi sea. These islands grow upon further cooling and merge together just before Tc is reached. The new extended BF model predicts a pseudogap phase in 2D high-Tc superconductors with lines of points, or loci, on the Fermi surface along which the pseudogap vanishes. This explains the origin of T-dependent "Fermi arcs" observed in ARPES experiments.

The non-equilibrium Green function approach to inhomogeneous quantum many-body systems using the generalized Kadanoff–Baym ansatz

In the non-equilibrium Green function calculations, the use of the generalized Kadanoff–Baym ansatz (GKBA) allows for a simple approximate reconstruction of the two-time Green function from its time-diagonal value. With this, a drastic reduction of the computational needs is achieved in time-dependent calculations, making longer time propagation possible and more complex systems accessible. This paper gives credit to the GKBA that was introduced 25 years ago. After a detailed derivation of the GKBA, we recall its application to homogeneous systems and show how to extend it to strongly correlated, inhomogeneous systems. As a proof of concept, we present the results for a two-electron quantum well, where the correct treatment of the correlated electron dynamics is crucial for a correct description of the equilibrium and dynamic properties.

Magnetization of 3He layers in ferromagnetic regime: Cluster size effects

Abstract Magnetization of pure 3He monolayers on graphite and solid 3He on 4He-preplated graphite in the ferromagnetic regime is investigated theoretically within a two-dimensional spin-1/2 Heisenberg model in an external magnetic field. We develop an analytical approach based on a second-order two-time Green function formalism which describes the thermodynamic functions for finite as well as for infinite spin systems in the whole temperature range at arbitrary fields h. In particular, the present theory provides a proper description of the magnetization in the intermediate temperature region h T J at h well below the exchange J, that is in the region where the measurements for solid 3He monolayers are usually made. It is known from the experiment that only a part of 3He atoms is involved into ferromagnetic exchange. The ferromagnetic spins form clusters whose size is a function of coverage. The coverage dependences of the exchange constant, saturation magnetization, and average cluster size are found and analyzed. Nonmonotonic variation of the exchange constant with coverage is discussed. The effect of the cluster size on the temperature dependence of the magnetization is studied. To clarify how the cluster shape and boundary conditions affect magnetic properties of nanoclusters we calculate numerically the magnetization of small magnetic systems using the exact diagonalization method.

Callen-like method for the classical Heisenberg ferromagnet

A study of the d-dimensional classical Heisenberg ferromagnetic model in the presence of a magnetic field is performed within the two-time Green function’s framework in classical statistical physics. We extend the well known quantum Callen method to derive analytically a new formula for magnetization. Although this formula is valid for any dimensionality, we focus on one- and three- dimensional models and compare the predictions with those arising from a different expression suggested many years ago in the context of the classical spectral density method. Both frameworks give results in good agreement with the exact numerical transfer-matrix data for the one-dimensional case and with the exact high-temperature-series results for the three-dimensional one. In particular, for the ferromagnetic chain, the zero-field susceptibility results are found to be consistent with the exact analytical ones obtained by M.E. Fisher. However, the formula derived in the present paper provides more accurate predictions in a wide range of temperatures of experimental and numerical interest.