arXiv subjects

M. V. Sadovskii

Publications and source records attributed to M. V. Sadovskii.

At least 73 records · Page 4Linked to original sources

arXiv2008

Electronic Structure of New LiFeAs High-Tc Superconductor

We present results of it ab initio LDA calculations of electronic structure of "next generation" layered ironpnictide High-Tc superconductor LiFeAs (Tc=18K). Obtained electronic structure of LiFeAs is very similar to recently studied ReOFeAs (Re=La,Ce,Pr,Nd,Sm) and AFe2As2 (A=Ba,Sr) compounds. Namely close to the Fermi level its electronic properties are also determined ma inly by Fe 3d-orbitals of FeAs4 two-dimensional layers. Band dispersions of LiFeAs are very similar to the LaOFeAs and BaFe2As2 systems as well as the shape of the Fe-3d density o f states and Fermi surface.

cond-mat.supr-con↗

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

Electronic Structure of Prototype AFe_2As_2 and ReOFeAs High-Temperature Superconductors: a Comparison

We have performed ab initio LDA calculations of electronic structure of newly discovered prototype high-temperature superconductors AFe_2As_2 (A=Ba,Sr) and compared it with previously calculated electronic spectra of ReOFeAs (Re=La,Ce,Pr,Nd,Sm). In all cases we obtain almost identical densities of states in rather wide energy interval (up to 1 eV) around the Fermi level. Energy dispersions are also very similar and almost two-dimensional in this energy interval, leading to the same basic (minimal) model of electronic spectra, determined mainly by Fe d-orbitals of FeAs layers. The other constituents, such as A ions or rare earths Re (or oxygen states) are more or less irrelevant for superconductivity. LDA Fermi surfaces for AFe_2As_2 are also very similar to that of ReOFeAs. This makes the more simple AFe_2As_2 a generic system to study high-temperature superconductivity in FeAs - layered compounds.

cond-mat.supr-con↗

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.

cond-mat.str-el↗

arXiv2008

High Temperature Superconductivity in Transition Metal Oxypnictides: a Rare-Earth Puzzle?

We have performed an extensive ab initio LDA and LSDA+U calculations of electronic structure of newly discovered high-temperature superconducting series ReO(1-x)F(x)FeAs (Re=La,Ce, Pr, Nd, Sm and hypothetical case of Re=Y). In all cases we obtain almost identical electronic spectrum (both energy dispersions and the densities of states) in rather wide energy interval (about 2 eV) around the Fermi level. We also debate that this fact is unlikely to be changed by the account of strong correlations. It leads inevitably to the same critical temperature Tc of superconducting transition in any theoretical BCS-like mechanism of Cooper pair formation. We argue that the experimentally observed variations of Tc for different rare-earth substitutions are either due to disorder effects or less probably because of possible changes in spin-fluctuation spectrum of FeAs layers caused by magnetic interactions with rare-earth spins in ReO layers.

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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.

cond-mat.str-el↗

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.

cond-mat.str-el↗

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.

cond-mat.str-el↗

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.

cond-mat.str-el↗

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.

cond-mat.str-el↗

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.

cond-mat.str-el↗

arXiv2005

Pseudogaps in Strongly Correlated Metals: A generalized dynamical mean-field theory approach

We generalize the dynamical-mean field (DMFT) approximation by including into the DMFT equations some length scale via a momentum dependent ``external'' self-energy S(k). This external 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+Sk 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 in this generalized DMFT+Sk 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+Sk show a pseudogap formation near the Fermi level of the quasiparticle band.

cond-mat.str-el↗

arXiv2005

"Destruction" of the fermi surface due to pseudogap fluctuations in strongly correlated systems

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. 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+Σ_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. Calculating profiles of spectral densities for different parameters of the model we demonstrate the qualitative picture of Fermi surface "destruction" and formation of "Fermi arcs" due to pseudogap fluctuations in qualitative agreement with ARPES experiments. "Blurring" of the Fermi surface is enhanced with the growth of the Coulomb interaction.

cond-mat.str-el↗

arXiv2005

Pseudogaps in Strongly Correlated Metals

We generalize the dynamical-mean field (DMFT) approximation by including into the DMFT equations some length scale via a (momentum dependent) ``external'' self-energy Σ_k. This external 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+Σ_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 in this generalized DMFT+Σ_k 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+Σ_k show a pseudogap formation near the Fermi level of the quasiparticle band.

cond-mat.str-el↗

arXiv2004

Models of the Pseudogap State in High - Temperature Superconductors

We present a short review of our basic understanding of the physics of copper - oxide superconductors and formulate the list of "solved" and "unsolved" problems. The main problem remains theoretical description of the properties of the normal state, requiring clarification of the nature of the so called pseudogap state. We review simplified models of the pseudogap state, based on the scenario of strong electron scattering by (pseudogap) fluctuations of "dielectric" (AFM, CDW) short - range order and the concept of "hot" spots (patches) on the Fermi surface. Pseudogap fluctuations are described as appropriate static Gaussian random field scattering electrons. We derive the system of recurrence equations for the one - particle Green's function and vertex parts, taking into account all Feynman diagrams for electron scattering by pseudogap fluctuations. Results of calculations of spectral density, density of states and optical conductivity are presented, demonstrating both pseudogap and localization effects. We analyze the anomalies of superconducting state (both s- and d - wave pairing) forming on the "background" of these pseudogap fluctuations. Microscopic derivation of Ginzburg - Landau expansion allows calculations of critical temperature T_c and other basic characteristics of a superconductor, depending on the parameters of the pseudogap. We also analyze the role of "normal" (nonmagnetic) impurity scattering. It is shown that our simplified model allows semiquantitative modelling of the typical phase diagram of superconducting cuprates.

cond-mat.supr-con↗

arXiv2004

Superconductivity in the "Hot Spots" Model of the Pseudogap State: Impurity Scattering and Phase Diagram

We analyze the anomalies of superconducting state (both s- and d-wave pairing) in the model of the pseudogap state induced by Heisenberg spin fluctuations of antiferromagnetic short-range order, and based on the scenario of strong scattering near the "hot spots" on the Fermi surface. We present microscopic derivation of Ginzburg-Landau expansion, taking into account all Feynman graphs of perturbation theory for electron interaction with fluctuations of short-range order and in the "ladder" approximation for electron scattering by normal (nonmagnetic) impurities. We determine the dependence of superconducting critical temperature T_c and other characteristics of a superconductor on the parameters of the pseudogap and impurity scattering. It is shown that within this model it is possible to explain the typical phase diagram of high- temperature superconductors.

cond-mat.supr-con↗

arXiv2004

Superconductivity in the "Hot Spots" Model of the Pseudogap State

We analyze the anomalies of superconducting state in the model of pseudogap state induced by fluctuations of short - range order of "dielectric" (AFM(SDW) or CDW) type, and based on the scenario of "hot spots" formation on the Fermi surface, with the account of all Feynman graphs for electron interaction with pseudogap fluctuations, leading to strong scattering around the "hot spots". We determine the dependence of superconducting critical temperature T_c on the effective width of the pseudogap, correlation length of short - range order and concentration of nonmagnetic impurities. We also discuss possible connection of these results with the general form of the phase diagram of superconducting cuprates.

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