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A. N. Rubtsov

Publications and source records attributed to A. N. Rubtsov.

At least 55 records · Page 3Linked to original sources

Analytical approximation for single-impurity Anderson model

We have applied the recently developed dual fermion technique to the spectral properties of single-band Anderson impurity problem (SIAM). In our approach a series expansion is constructed in vertices of the corresponding atomic Hamiltonian problem. This expansion contains a small parameter in two limiting cases: in the weak coupling case ($U/t \to 0$), due to the smallness of the irreducible vertices, and near the atomic limit ($U/t \to \infty$), when bare propagators are small. Reasonable results are obtained also for the most interesting case of strong correlations ($U \approx t$). The atomic problem of the Anderson impurity model has a degenerate ground state, so the application of the perturbation theory is not straightforward. We construct a special approach dealing with symmetry-broken ground state of the renormalized atomic problem. Formulae for the first-order dual diagram correction are obtained analytically in the real-time domain. Most of the Kondo-physics is reproduced: logarithmic contributions to the self energy arise, Kondo-like peak at the Fermi level appears, and the Friedel sum rule is fulfilled. Our approach describes also renormalization of atomic resonances due to hybridization with a conduction band. A generalization of the proposed scheme to a multi-orbital case can be important for the realistic description of correlated solids.

cond-mat.str-el↗

Relevance of complete Coulomb interaction matrix for the Kondo problem: Co impurity on Cu(111)

The electronic structure of a prototype Kondo system, a cobalt impurity in a copper host is calculated with accurate taking into account of correlation effects on the Co atom. Using the recently developed continuous-time QMC technique, it is possible to describe the Kondo resonance with a complete four-index Coulomb interaction matrix. This opens a way for completely first-principle calculations of the Kondo temperature. We have demonstrated that a standard practice of using a truncated Hubbard Hamiltonian to consider the Kondo physics can be quantitatively inadequate.

cond-mat.str-el↗

Efficient perturbation theory for quantum lattice models

We present a novel approach to long-range correlations beyond dynamical mean-field theory through a ladder approximation to dual fermions. The new technique is applied to the two-dimensional Hubbard model. We demonstrate that the transformed perturbation series for the nonlocal dual fermions has superior convergence properties over standard diagrammatic techniques. The critical Neel temperature of the mean-field solution is suppressed in the ladder approximation, in accordance with quantum Monte-Carlo (QMC) results. An illustration of how the approach captures and allows to distinguish short- and long-range correlations is given.

cond-mat.str-el↗

Dual fermion approach to the two-dimensional Hubbard model: Antiferromagnetic fluctuations and Fermi arcs

We present an efficient diagrammatic method to describe nonlocal correlation effects in lattice fermion Hubbard-like models, which is based on a change of variables in the Grassmann path integrals. The new fermions are dual to the original ones and correspond to weakly interacting quasiparticles in the case of strong local correlations in the Hubbard model. The method starts with dynamical mean-field theory as a zeroth-order approximation and includes non-local effects in a perturbative way. In contrast to cluster approaches, this method utilizes an exact transition to a dual set of variables. It therefore becomes possible to treat the irreducible vertices of an effective {\it single-impurity} problem as small parameters. This provides a very efficient interpolation between band-like weak-coupling and atomic limits. The method is illustrated on the two-dimensional Hubbard model. The antiferromagnetic pseudogap, Fermi-arc formations, and non-Fermi-liquid effects due to the van Hove singularity are correctly reproduced by the lowest-order diagrams. Extremum properties of the dual fermion approach are discussed in terms of the Feynman variational principle.

cond-mat.str-el↗

Dual Fermion Approach to Susceptibility of Correlated Lattice Fermions

In this paper, we show how the two-particle Green function (2PGF) can be obtained within the framework of the Dual Fermion approach. This facilitates the calculation of the susceptibility in strongly correlated systems where long-ranged non-local correlations cannot be neglected. We formulate the Bethe-Salpeter equations for the full vertex in the particle-particle and particle-hole channels and introduce an approximation for practical calculations. The scheme is applied to the two-dimensional Hubbard model at half filling. The spin-spin susceptibility is found to strongly increase for the wavevector $\vc{q}=(π,π)$, indicating the antiferromagnetic instability. We find a suppression of the critical temperature compared to the mean-field result due to the incorporation of the non-local spin-fluctuations.

cond-mat.str-el↗

Cluster Dual Fermion Approach to Nonlocal Correlations

We formulate a general cluster Dual Fermion Approach to nonlocal correlations in crystals. The scheme allows the treatment of long-range correlations beyond cluster DMFT and nonlocal effects in realistic calculations of multiorbital systems. We show that the the simplest approximation exactly corresponds to free cluster DMFT. We further consider the relation between the two-particle Green functions in real and dual variables. We apply this approach by calculating the Green function of the Hubbard model in one dimension starting from the two-site cluster DMFT solution. The result agrees well with the Green function obtained from a DMRG calculation.

cond-mat.str-el↗

Dual fermion approach to nonlocal correlations in the Hubbard model

A new diagrammatic technique is developed to describe nonlocal effects (e.g., pseudogap formation) in the Hubbard-like models. In contrast to cluster approaches, this method utilizes an exact transition to the dual set of variables, and it therefore becomes possible to treat the irreducible vertices of an effective {\it single-impurity} problem as small parameters. This provides a very efficient interpolation between weak-coupling (band) and atomic limits. The antiferromagnetic pseudogap formation in the Hubbard model is correctly reproduced by just the lowest-order diagrams.

cond-mat.str-el↗

Enhanced Crystal Field Splitting and Orbital Selective Coherence by Strong Correlations in V_2O_3

We present a study of the paramagnetic metallic and insulating phases of vanadium sesquioxide by means of the $N$th order muffin-tin orbital implementation of density functional theory combined with dynamical mean-field theory. The transition is shown to be driven by a correlation-induced enhancement of the crystal field splitting within the $t_{2g}$ manifold, which results in a suppression of the hybridization between the $a_{1g}$ and $e_g^π$ bands. We discuss the changes in the effective quasi-particle band structure caused by the correlations and the corresponding self-energies. At temperatures of about 400 K we find the $a_{1g}$ orbitals to display coherent quasi-particle behavior, while a large imaginary part of the self-energy and broad features in the spectral function indicate that the $e_g^π$ orbitals are still far above their coherence temperature. The local spectral functions are in excellent agreement with recent bulk sensitive photoemission data. Finally, we also make a prediction for angle-resolved photoemission experiments by calculating momentum-resolved spectral functions.

cond-mat.str-el↗

Energy diffusion in strongly driven quantum chaotic systems: Role of correlations of the matrix elements

The energy evolution of a quantum chaotic system under the perturbation that harmonically depends on time is studied for the case of large perturbation, in which the rate of transition calculated from the Fermi golden rule (FGR) is about or exceeds the frequency of perturbation. For this case the models of Hamiltonian with random non-correlated matrix elements demonstrate that the energy evolution retains its diffusive character, but the rate of diffusion increases slower than the square of the magnitude of perturbation, thus destroying the quantum-classical correspondence for the energy diffusion and the energy absorption in the classical limit $\hbar \to 0$. The numerical calculation carried out for a model built from the first principles (the quantum analog of the Pullen - Edmonds oscillator) demonstrates that the evolving energy distribution, apart from the diffusive component, contains a ballistic one with the energy dispersion that is proportional to the square of time. This component originates from the chains of matrix elements with correlated signs and vanishes if the signs of matrix elements are randomized. The presence of the ballistic component formally extends the applicability of the FGR to the non-perturbative domain and restores the quantum-classical correspondence.

nlin.CD↗

Optical echo in photonic crystals

The dynamics of photonic wavepacket in the effective oscillator potential is studied. The oscillator potential is constructed on a base of one dimensional photonic crystal with a period of unit cell adiabatically varied in space. The structure has a locally equidistant discrete spectrum. This leads to an echo effect, i.e. the periodical reconstruction of the packet shape. The effect can be observed in a nonlinear response of the system. Numerical estimations for porous-silicon based structures are presented for femtosecond Ti:Sapphire laser pump.

physics.optics↗

Small parameter for lattice models with strong interaction

Diagram series expansion for lattice models with a localized nonlinearity can be renormalized so that diagram vertexes become irreducible vertex parts of certain impurity model. Thus renormalized series converges well in the very opposite cases of tight and weak binding and pretends to describe in a regular way strong-correlated systems with localized interaction. Benchmark results for the classical O(N) models on a cubic lattice are presented.

cond-mat.stat-mech↗

Topological defects, pattern evolution, and hysteresis in thin magnetic films

Nature of the magnetic hysteresis for thin films is studied by the Monte-Carlo simulations. It is shown that a reconstruction of the magnetization pattern with external field occurs via the creation of vortex-antivortex pairs of a special kind at the boundaries of stripe domains. It is demonstrated that the symmetry of order parameter is of primary importance for this problem, in particular, the in-plane magnetic anisotropy is necessary for the hysteresis.

cond-mat.stat-mech↗

Continuous Time Quantum Monte Carlo method for fermions

We present numerically exact continuous-time Quantum Monte Carlo algorithm for fermions with a general non-local in space-time interaction. The new determinantal grand-canonical scheme is based on a stochastic series expansion for the partition function in the interaction representation. The method is particularly applicable for multi-band time-dependent correlations since it does not invoke the Hubbard-Stratonovich transformation. The test calculations for exactly solvable models as well results for the Green function and for the time-dependent susceptibility of the multi-band super-symmetric model with a spin-flip interaction are discussed.

cond-mat.str-el↗

Correlated adatom trimer on metal surface: A continuous time quantum Monte Carlo study

The problem of three interacting Kondo impurities is solved within a numerically exact continuous time quantum Monte Carlo scheme. A suppression of the Kondo resonance by interatomic exchange interactions for different cluster geometries is investigated. It is shown that a drastic difference between the Heisenberg and Ising cases appears for antiferromagnetically coupled adatoms. The effects of magnetic frustrations in the adatom trimer are investigated, and possible connections with available experimental data are discussed.

cond-mat.str-el↗

Continuous Time Quantum Monte Carlo Method for Fermions: Beyond Auxiliary Field Framework

Numerically exact continuous-time Quantum Monte Carlo algorithm for finite fermionic systems with non-local interactions is proposed. The scheme is particularly applicable for general multi-band time-dependent correlations since it does not invoke Hubbard-Stratonovich transformation. The present determinantal grand-canonical method is based on a stochastic series expansion for the partition function in the interaction representation. The results for the Green function and for the time-dependent susceptibility of multi-orbital super-symmetric impurity model with a spin-flip interaction are presented.

cond-mat.str-el↗

Monte Carlo simulations of the classical two-dimensional discrete frustrated $ϕ^4$ model

The classical two-dimensional discrete frustrated $ϕ^4$ model is studied by Monte Carlo simulations. The correlation function is obtained for two values of a parameter $d$ that determines the frustration in the model. The ground state is a ferro-phase for $d=-0.35$ and a commensurate phase with period N=6 for $d=-0.45$. Mean field predicts that at higher temperature the system enters a para-phase via an incommensurate state, in both cases. Monte Carlo data for $d=-0.45$ show two phase transitions with a floating-incommensurate phase between them. The phase transition at higher temperature is of the Kosterlitz-Thouless type. Analysis of the data for $d=-0.35$ shows only a single phase transition between the floating-fluid phase and the ferro-phase within the numerical error.

cond-mat.stat-mech↗

Quantum Monte Carlo determinantal algorithm without Hubbard-Stratonovich transformation: a general consideration

Continuous-time determinantal algorithm is proposed for the quantum Monte Carlo simulation of the interacting fermions. The scheme does not invoke Hubbard-Stratonovich transformation. The fermionic action is divided into two parts. One of them contains the interaction and certain additional terms; another one is purely Gaussian. The first part is considered as a perturbation. Terms of the series expansion for the partition function are generated in a random walk process. The sign problem and the complexity of the algorithm are analyzed. We argue that the scheme should be useful particularly for the systems with non-local interaction.

cond-mat.str-el↗