arXiv subjects

E. Z. Kuchinskii

Publications and source records attributed to E. Z. Kuchinskii.

At least 37 records · Page 2Linked to original sources

arXiv2010

Electronic structure and possible pseudogap behavior in iron based superconductors

Starting from the simplified analytic model of electronic spectrum of iron - pnictogen (chalcogen) high - temperature superconductors close to the Fermi level, we discuss the influence of antiferromagneting (AFM)scattering both for stoichiometric case and the region of possible short - range order AFM fluctuations in doped compounds. Qualitative picture of the evolution of electronic spectrum and Fermi surfaces (FS) for different dopings is presented, with the aim of comparison with existing and future ARPES experiments. Both electron and hole dopings are considered and possible pseudogap behavior connected with partial FS "destruction" is demonstrated, explaining some recent experiments.

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arXiv2010

Pseudogap phase of high-Tc compounds described within the LDA+DMFT+Sigma approach

LDA+DMFT+Sigma_k approach was applied to describe pseudogap phase of several prototype high-Tc compounds e.g. hole doped Bi2212 and LSCO systems and electron doped NCCO and PCCO, demonstrating qualitative difference of the Fermi surfaces (FS) for these systems. Namely for Bi2212 and LSCO the so called "hot-spots" (intersection of a bare FS and AFM Brillouin zone (BZ) boundary), where scattering on pseudogap fluctuations is most intensive were not observed. Instead here we have Fermi arcs with smeared FS close to the BZ boundary. However for NCCO and PCCO "hot-spots" are clearly visible. This qualitative difference is shown to have material specific origin. Good agreement with known ARPES data was demon strated not only for FS maps but also for spectral function maps (quasiparticle bands in cluding lifetime and interaction broadening).

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arXiv2010

Interplay of electron-phonon interaction and strong correlations: DMFT+Sigma approach

We discuss interaction of strongly correlated electrons (described within the Hubbard model solved by dynamical mean-field theory (DMFT)) with Debye and Einstein phonons using recently developed DMFT+Sigma computational scheme. Electron-phonon interaction (EPI) is analyzed in adiabatic approximation (assuming the validity of Migdal theorem), allowing the neglect of EPI vertex corrections. This approach is valid for EPI coupling constant L < e_F/w_ph~10, where e_F is Fermi energy and w_ph is Debye or Einstein frequency. For moderate values of L only small changes in the electronic density of states are observed in DMFT+Sigma approximation for both weakly and strongly correlated metallic regimes. Metal-insulator (Mott) transition due to the increase of Hubbard interaction U is slightly inhibited by EPI. Our main aim is to discuss the interplay of "kinks" in electronic dispersion due to EPI and recently discovered kinks of electronic origin. For the certain region of model parameters coexistence of phonon "kinks" in electronic dispersion with purely electronic "kinks" is readily observed and we formulate some simple criteria of such coexistence. However, for most general combinations of model parameters phonon "kinks" make electronic "kinks" hardly observable. In the general case an increase of Hubbard interaction U rapidly suppresses the slope of electronic dispersion within the phonon "kink". These results are important for deeper understanding of the shape and evolution of electronic dispersions in strongly correlated systems such as copper oxides, where different kinds of "kinks" were recently observed in ARPES experiments.

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arXiv2010

Anion height dependence of Tc and density of states in iron based superconductors

Systematic ab initio LDA calculations were performed for all the typical representatives of recently discovered class of iron based high-temperature superconductors: REOFe(As,P) (RE=La,Ce,Nd,Sm,Tb), Ba2Fe2As, (Sr,Ca)FFeAs, Sr4Sc2O6Fe2P2, LiFeAs and Fe(Se,Te). Non-monotonic behavior of total density of states at the Fermi level is observed as a function of anion height relative to Fe layer with maximum at about Dz_a~1.37A, attributed to changing Fe - As (P,Se,Te) hybridization. This leads to a similar dependence of superconducting transition temperature Tc as observed in the experiments. The fit of this dependence to elementary BCS theory produces semiquantitative agreement with experimental data for Tc for the whole class of iron based superconductors. The similar fit to Allen - Dynes formula underestimates Tc in the vicinity of the maximum, signifying the possible importance of non - phonon pairing in this region. These results unambiguously demonstrate that the main effect of Tc variation between different types of iron based superconductors is due to the corresponding variation of the density of states at the Fermi level.

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arXiv2009

ARPES spectral functions and Fermi surface for La(1.86)Sr(0.14)CuO(4) compared with LDA+DMFT+Sk calculations

Slightly underdoped high-Tc system La(1.86)Sr(0.14)CuO(4) (LSCO) is studied by means of high energy high resolution angular resolved photoemission spectroscopy (ARPES) and combined computational scheme LDA+DMFT+Sk. Corresponding one band Hubbard model is solved via dynamical mean-field theory (DMFT), while model parameters needed are obtained from first principles within local density approximation (LDA). An "external" k-dependent self-energy Sk describes interaction of correlated electrons with antiferromagnetic (AFM) pseudogap fluctuations. Experimental and theoretical data clearly show "destruction" of the LSCO Fermi surface in the vicinity of the (pi,0) point and formation of "Fermi arcs" in the nodal directions. ARPES energy distribution curves (EDC) as well as momentum distribution curves (MDC) demonstrate deviation of the quasiparticle band from the Fermi level around (pi,0) point. The same behavior of spectral functions follows from theoretical calculations suggesting AFM origin of the pseudogap state.

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arXiv2009

Electronic structure of Pr_{2-x}Ce_xCuO_4 studied via ARPES and LDA+DMFT+Σ_k

The electron-doped Pr(2-x)Ce(x)CuO(4) (PCCO) compound in the pseudogap regime (x~0.15) was investigated using angle-resolved photoemission spectroscopy (ARPES) and the generalized dynamical mean-field theory (DMFT) with the k-dependent self-energy (LDA+DMFT+Σ_k). Model parameters (hopping integral values and local Coulomb interaction strength) for the effective one-band Hubbard model were calculated by the local density approximation (LDA) with numerical renormalization group method (NRG) employed as an "impurity solver" in DMFT computations. An "external" k-dependent self-energy Σ_k was used to describe interaction of correlated conducting electrons with short-range antiferromagnetic (AFM) pseudogap fluctuations. Both experimental and theoretical spectral functions and Fermi surfaces (FS) were obtained and compared demonstrating good semiquantitative agreement. For both experiment and theory normal state spectra of nearly optimally doped PCCO show clear evidence for a pseudogap state with AFM-like nature. Namely, folding of quasiparticle bands as well as presence of the "hot spots" and "Fermi arcs" were observed.

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arXiv2009

Two-dimensional Anderson-Hubbard model in DMFT+Sigma approximation

Density of states, dynamic (optical) conductivity and phase diagram of paramagnetic two-dimensional Anderson-Hubbard model with strong correlations and disorder are analyzed within the generalized dynamical mean-field theory (DMFT+Sigma approximation). Strong correlations are accounted by DMFT, while disorder is taken into account via the appropriate generalization of the self-consistent theory of localization. We consider the two-dimensional system with the rectangular "bare" density of states (DOS). The DMFT effective single impurity problem is solved by numerical renormalization group (NRG). Phases of "correlated metal", Mott insulator and correlated Anderson insulator are identified from the evolution of density of states, optical conductivity and localization length, demonstrating both Mott-Hubbard and Anderson metal-insulator transitions in two-dimensional systems of the finite size, allowing us to construct the complete zero-temperature phase diagram of paramagnetic Anderson-Hubbard model. Localization length in our approximation is practically independent of the strength of Hubbard correlations. However, the divergence of localization length in finite size two-dimensional system at small disorder signifies the existence of an effective Anderson transition.

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arXiv2009

Interplay of electron-phonon interaction and strong correlations: DMFT+Σstudy

We perform investigation of Hubbard model with interaction between strongly correlated conducting electrons on a lattice with Debye phonons. To solve the problem generalized dynamical mean-field DMFT+Σmethod is employed with "external" self-energy Σ_ph corresponding to electron-phonon interaction. We present DMFT+Σ_ph results for densities of states and kinks in energy dispersions for a variety of model parameters, analyzing the interplay of recently discovered kinks of purely electronic nature and usual phonon kinks in the electronic spectrum.

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arXiv2009

Multiple Bands - A Key to High - Temperature Superconductivity in Iron Arsenides?

In the framework of four-band model of superconductivity in iron arsenides proposed by Barzykin and Gor'kov we analyze the gap ratios on hole - like and electron - like Fermi - surface cylinders. It is shown that experimentally observed (ARPES) gap ratios can be obtained only within rather strict limits on the values of pairing coupling constants. The difference of T_c values in 1111 and 122 systems is reasonably explained by the relative values of partial densities of states. The multiple bands electronic structure of these systems leads to a significant enhancement of effective pairing coupling constant determining T_c, so that high enough T_c values can be achieved even for the case of rather small intraband and interband pairing interactions.

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arXiv2008

Reconstruction of the Fermi surface in the pseudogap state of cuprates

Reconstruction of the Fermi surface of high-temperature superconducting cuprates in the pseudogap state is analyzed within nearly exactly solvable model of the pseudogap state, induced by short-range order fluctuations of antiferromagnetic (AFM, spin density wave (SDW), or similar charge density wave (CDW)) order parameter, competing with superconductivity. We explicitly demonstrate the evolution from "Fermi arcs" (on the "large" Fermi surface) observed in ARPES experiments at relatively high temperatures (when both the amplitude and phase of density waves fluctuate randomly) towards formation of typical "small" electron and hole "pockets", which are apparently observed in de Haas - van Alfen and Hall resistance oscillation experiments at low temperatures (when only the phase of density waves fluctuate, and correlation length of the short-range order is large enough). A qualitative criterion for quantum oscillations in high magnetic fields to be observable in the pseudogap state is formulated in terms of cyclotron frequency, correlation length of fluctuations and Fermi velocity.

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arXiv2008

Origin of "hot-spots" in the pseudogap regime of Nd(1.85)Ce(0.15)CuO(4): LDA+DMFT+Sigma_k study

Material specific electronic band structure of the electron-doped high-Tc cuprate Nd(1.85)Ce(0.15)CuO(4) (NCCO) is calculated within the pseudo gap regime, using the recently developed generalized LDA+DMFT+Sigma_k scheme. LDA/DFT (density functional theory within local density approximation) provides model parameters (hopping integral values, local Coulomb interaction strength) for the one-band Hubbard model, which is solved by DMFT (dynamical mean-field theory). To take into account pseudogap fluctuations LDA+DMFT is supplied with "external" k-dependent self-energy Sigma_k, which describes interaction of correlated conducting electrons with non-local Heisenberg-like antiferromagnetic (AFM) spin fluctuations responsible for pseudo gap formation. Within this LDA+DMFT+Sigma_k approach we demonstrate the formation of pronounced "hot-spots" on the Fermi surface (FS) map in NCCO, opposite to our recent calculations for Bi(2)Sr(2)CaCu(2)O(8-d) (Bi2212), which have produced rather extended region of FS "destruction". There are several physical reasons for this fact: (i) the "hot-spots" in NCCO are located closer to Brillouin zone center; (ii) correlation length of AFM fluctuations ξis larger for NCCO; (iii) pseudogap potential Δis stronger, than in Bi2212. Comparison of our theoretical data with recent bulk sensitive high-energy angle-resolved photoemission (ARPES) data for NCCO provides good semiquantitative agreement. Based on that comparison alternative explanation of the van-Hove singularity at -0.3 eV is proposed. Optical conductivity both for Bi2212 and NCCO is also calculated within LDA+DMFT+Sigma_k and compared with experimental results, demonstrating satisfactory agreement.

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arXiv2008

Optical Sum Rule in Strongly Correlated Systems

We discuss the problem of a possible "violation" of the optical sum rule in the normal (non superconducting) state of strongly correlated electronic systems, using our recently proposed DMFT+Sigma approach, applied to two typical models: the "hot - spot" model of the pseudogap state and disordered Anderson - Hubbard model. We explicitly demonstrate that the general Kubo single band sum rule is satisfied for both models. However, the optical integral itself is in general dependent on temperature and characteristic parameters, such as pseudogap width, correlation strength and disorder scattering, leading to effective "violation" of the optical sum rule, which may be observed in the experiments.

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arXiv2007

Comparative study of electron and hole doped High-Tc compounds in pseudogap regime: LDA+DMFT+Sk approach

Pseudogap regime for the prototype high-Tc compounds hole doped Bi2Sr2CaCu2O8-x (Bi2212) and electron doped Nd2-xCexCuO4 (NCCO) is described by means of novel generalized LDA+DMFT+Sk approach. Here conventional dynamical mean-field theory (DMFT) equations are supplied with additional (momentum dependent) self-energy Sk. In the present case Sk describes non-local dynamical correlations induced by short-ranged collective Heisenberg-like antiferromagnetic spin fluctuations. Material specific model parameters of two neighboring CuO2 layers of Bi2212 and single CuO2 layer of NCCO were obtained within local density approximation (LDA) and constrained LDA method. We show that Fermi surface in presence of the pseudogap fluctuations have perfectly visible "hot-spots" for NCCO while in Bi2212 there is just rather broad region with strong antiferromagnetic scattering. Results obtained are in good agreement with recent ARPES and optical experiments.

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arXiv2007

Mott-Hubbard Transition and Anderson Localization: Generalized Dynamical Mean-Field Theory Approach

Density of states, dynamic (optical) conductivity and phase diagram of strongly correlated and strongly disordered paramagnetic Anderson-Hubbard model are analyzed within the generalized dynamical mean field theory (DMFT+Σapproximation). Strong correlations are accounted by DMFT, while disorder is taken into account via the appropriate generalization of self-consistent theory of localization. The DMFT effective single impurity problem is solved by numerical renormalization group (NRG) and we consider the three-dimensional system with semi-elliptic density of states. Correlated metal, Mott insulator and correlated Anderson insulator phases are identified via the evolution of density of states and dynamic conductivity, demonstrating both Mott-Hubbard and Anderson metal-insulator transition and allowing the construction of complete zero-temperature phase diagram of Anderson-Hubbard model. Rather unusual is the possibility of disorder induced Mott insulator to metal transition.

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arXiv2007

Pseudogaps in Strongly Correlated Metals: Optical Conductivity within the Generalized Dynamical Mean-Field Theory Approach

Optical conductivity of the weakly doped two-dimensional repulsive Hubbard model on the square lattice with nearest and next nearest hoppings is calculated within the generalized dynamical-mean field (DMFT+Σ_p) approach which includes correlation length scale ξinto the standard DMFT equations via the momentum dependent self-energy Σ_p, with full account of appropriate vertex corrections. This approach takes into consideration non-local dynamical correlations induced e.g. by short-ranged collective SDW-like antiferromagnetic spin fluctuations, which (at high enough temperatures) can be viewed as a quenched Gaussian random field with finite correlation length ξ. The effective single impurity problem is solved by numerical renormalization group (NRG). We consider both the case of correlated metal with the bandwidth W<=U and that of doped Mott insulator with U>>W (U - value of local Hubbard interaction). Optical conductivity calculated within DMFT+Σ_p demonstrates typical pseudogap behavior within the quasiparticle band in qualitative agreement with experiments in copper oxide superconductors. For large values of U pseudogap anomalies are effectively suppressed.

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arXiv2006

Pseudogap behaviour in Bi2212: Results of Generalized DMFT Approach

To describe pseudogap regime in Bi2212 we employ novel generalized ab initio LDA+DMFT+Sigma_k hybrid scheme. This scheme is based on the strategy of one of the most powerfull computational tool for real correlated materials LDA+DMFT. Here the LDA+DMFT equations are supplied by an additional (momentum dependent) self-energy Sigma_k in the spirit of our recently proposed DMFT+Sigma_k approach, accounting for pseudogap fluctuations. In the present model Sigma_k describes non-local correlations induced by short-ranged collective Heisenberg-like antiferromagnetic spin fluctuations. The effective single impurity problem of the DMFT is solved by NRG. Material specific model parameters for effective x2-y2 orbital of Cu-3d shell of Bi2212 compound, e.g. hopping integrals, local Coulomb interaction U and pseudogap potential Delta were obtained within LDA and LDA+DMFT. We report theoretical LDA+DMFT+Sigma_k quasiparticle bands dispersion and damping, Fermi surface renormalization, momentum anisotropy of (quasi) static scattering, densities of states, spectral densities and angular resolved photoemission (ARPES) spectra accounting for pseudogap and bilayer splitting effects for normal (slightly) underdoped Bi2212 (delta=0.15). We show that LDA+DMFT+Sigma_k successfully describes strong (pseudogap) scattering close to Brillouin zone boundaries. Our calculated LDA+DMFT+Sigma_k Fermi surfaces and ARPES spectra in presence of the pseudogap fluctuations are almost insensitive to the bilayer splitting strength. The LDA-calculated value of bilayer splitting is found to be rather small to describe experimentally observed peak-dip-hump structure.

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arXiv2006

Non - Fermi Liquid Behavior in Fluctuating Gap Model: From Pole to Zero of the Green's function

We analyze non - Fermi liquid (NFL) behavior of fluctuating gap model (FGM) of pseudogap behavior in both 1D and 2D. We discuss in detail quasiparticle renormalization (Z - factor), demonstrating a kind of "marginal" Fermi liquid or Luttinger liquid behavior and topological stability of the "bare" Fermi surface (Luttinger theorem). In 2D case we discuss effective picture of Fermi surface "destruction" both in "hot spots" model of dielectric (AFM, CDW) pseudogap fluctuations, as well as for qualitatively different case of superconducting d - wave fluctuations, reflecting NFL spectral density behavior and similar to that observed in ARPES experiments on copper oxides.

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arXiv2005

Pseudogaps: Introducing the Length Scale into DMFT

Pseudogap physics in strongly correlated systems is essentially scale dependent. We generalize the dynamical mean field theory (DMFT) by including into the DMFT equations dependence on correlation length of pseudogap fluctuations via additional (momentum dependent) self-energy Sigma_k. This self-energy describes non-local dynamical correlations induced by short-ranged collective SDW-like antiferromagnetic spin (or CDW-like charge) fluctuations. At high enough temperatures these fluctuations can be viewed as a quenched Gaussian random field with finite correlation length. This generalized DMFT+Sigma_k approach is used for the numerical solution of the weakly doped one-band Hubbard model with repulsive Coulomb interaction on a square lattice with nearest and next nearest neighbour hopping. The effective single impurity problem is solved by numerical renormalization group (NRG). Both types of strongly correlated metals, namely (i) doped Mott insulator and (ii) the case of bandwidth W<U (U - value of local Coulomb interaction) are considered. Densities of states, spectral functions and ARPES spectra calculated within DMFT+Sigma_k show a pseudogap formation near the Fermi level of the quasiparticle band. We also briefly discuss effects of random impurity scattering. Finally we demonstrate the qualitative picture of Fermi surface "destruction" due to pseudogap fluctuations and formation of "Fermi arcs" which agrees well with ARPES observations.

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