Single-particle dynamics in the vicinity of the Mott-Hubbard metal-to-insulator transition

Karski, Michał; Raas, Carsten; Uhrig, Götz S.

doi:10.1103/physrevb.77.075116

Cited by 56 publications

(92 citation statements)

References 53 publications

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“…With increasing system size N , we observe a shift of the Hubbard side-peak position towards smaller |ω/D| (left inset Fig. 3), as well as a reduction of its height 38,39 . A similar reduction is observed in the height of the quasi-particle peak (right inset in Fig.…”

Section: B Sharp Peaks In the Hubbard Bandsmentioning

confidence: 92%

“…in agreement with the DDMRG data of Refs. 38,39,45 , In the NRG study in Ref. 24 the side peak shows narrowing but shrinks quickly when approaching the transition, while in the ED study in Ref.…”

Section: B Sharp Peaks In the Hubbard Bandsmentioning

confidence: 99%

“…For such U/D, the narrowing of the quasi-particle peak at ω/D = 0 and the appearance of sharp side peaks in the Hubbard band 22,23,38,39,45 make a high-resolution calculation of A(ω) a challenging task.…”

Section: B Sharp Peaks In the Hubbard Bandsmentioning

confidence: 99%

“…The DMRG on the other hand offers several ways to be used as an impurity solver within the DMFT. One possible way is to employ the dynamical DMRG (DDMRG) 35,36 to obtain the DMFT-spectral function [37][38][39][40] , whereas other approaches use a continued fraction expansion of the Greens function 41,42 . The broad application of DDMRG as an impurity solver is though hindered by the fact that one has to perform a separate DMRG run for each frequency and to perform the inversion of an ill-conditioned system of linear equations, which can become very time consuming.…”

Section: Introductionmentioning

confidence: 99%

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Efficient DMFT impurity solver using real-time dynamics with matrix product states

et al. 2015

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We propose to calculate spectral functions of quantum impurity models using the Time Evolving Block Decimation (TEBD) for Matrix Product States. The resolution of the spectral function is improved by a so-called linear prediction approach. We apply the method as an impurity solver within the Dynamical Mean Field Theory (DMFT) for the single-and two-band Hubbard model on the Bethe lattice. For the single-band model we observe sharp features at the inner edges of the Hubbard bands. A finite size scaling shows that they remain present in the thermodynamic limit. We analyze the real time-dependence of the double occupation after adding a single electron and observe oscillations at the same energy as the sharp feature in the Hubbard band, indicating a long-lived coherent superposition of states that correspond to the Kondo peak and the side peaks. For a two-band Hubbard model we observe an even richer structure in the Hubbard bands, which cannot be related to a multiplet structure of the impurity, in addition to sharp excitations at the band edges of a type similar to the single-band case.

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Section: B Sharp Peaks In the Hubbard Bandsmentioning

confidence: 92%

Section: B Sharp Peaks In the Hubbard Bandsmentioning

confidence: 99%

Section: B Sharp Peaks In the Hubbard Bandsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Efficient DMFT impurity solver using real-time dynamics with matrix product states

et al. 2015

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“…To solve the self-consistency equations different techniques ("impurity solvers") have been developed which are either fully numerical and "numerically exact", or semi-analytic and approximate. The numerical solvers can be divided into renormalization group techniques such as the numerical renormalization group (NRG) [37,38] and the density-matrix renormalization group (DMRG) [39], exact diagonalization (ED) [40][41][42], and methods based on the stochastic sampling of quantum and thermal averages, i.e., quantum Monte-Carlo (QMC) techniques such as the Hirsch-Fye QMC algorithm [32,43,44,33] and continuous-time (CT) QMC [45][46][47].…”

Section: Solution Of the Self-consistency Equations Of The Dmftmentioning

confidence: 99%

Dynamical Mean-Field Theory

Vollhardt

Byczuk

Kollar

2011

Springer Series in Solid-State Sciences

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Abstract. The dynamical mean-field theory (DMFT) is a widely applicable approximation scheme for the investigation of correlated quantum many-particle systems on a lattice, e.g., electrons in solids and cold atoms in optical lattices. In particular, the combination of the DMFT with conventional methods for the calculation of electronic band structures has led to a powerful numerical approach which allows one to explore the properties of correlated materials. In this introductory article we discuss the foundations of the DMFT, derive the underlying self-consistency equations, and present several applications which have provided important insights into the properties of correlated matter. Motivation Electronic CorrelationsAlready in 1937, at the outset of modern solid state physics, de Boer and Verwey [1] drew attention to the surprising properties of materials with incompletely filled 3d-bands. This observation prompted Mott and Peierls [2] to discuss the interaction between the electrons. Ever since transition metal oxides (TMOs) were investigated intensively [3]. It is now well-known that in many materials with partially filled electron shells, such as the 3d transition metals V and Ni and their oxides, or 4f rare-earth metals such as Ce, electrons occupy narrow orbitals. The spatial confinement enhances the effect of the Coulomb interaction between the electrons, making them "strongly correlated". Correlation effects can lead to profound quantitative and qualitative changes of the physical properties of electronic systems as compared to non-interacting particles. In particular, they often respond very strongly to changes in external parameters. This is expressed by large renormalizations of the response functions of the system, e.g., of the spin susceptibility and the charge compressibility. In particular, the interplay between the spin, charge and orbital degrees of freedom of the correlated d and f electrons and with the lattice degrees of freedom leads to an amazing multitude of ordering phenomena and other fascinating properties, including high temperature superconductivity, colossal magnetoresistance and Mott metal-insulator transitions [3].arXiv:1109.4833v1 [cond-mat.str-el]

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Effects of correlations on honeycomb lattice in ionic-Hubbard model

2015

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In a honeycomb lattice the symmetry has been broken by adding an ionic potential and a single-particle gap was generated in the spectrum. We have employed the iterative perturbation theory (IPT) in dynamical mean field approximation method to study the effects of competition between U and ∆ on energy gap and renormalized Fermi velocity. We found, the competition between the single-particle gap parameter and the Hubbard potential closed the energy gap and restored the semi-metallic phase, then the gap is opened again in Mott insulator phase. For a fixed ∆ by increasing U , the renormalized Fermi velocityṽ F is decreased, but change in ∆, for a fixed U , has no effects onṽ F . The difference in filling factor is calculated for various number of U, ∆. The results of this study can be implicated for gapped graphene e.g. hydrogenated graphene.

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Single-particle dynamics in the vicinity of the Mott-Hubbard metal-to-insulator transition

Cited by 56 publications

References 53 publications

Efficient DMFT impurity solver using real-time dynamics with matrix product states

Efficient DMFT impurity solver using real-time dynamics with matrix product states

Dynamical Mean-Field Theory

Effects of correlations on honeycomb lattice in ionic-Hubbard model

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