Quasiparticle liquid in the highly overdoped Bi(2)Sr(2)CaCu(2)O(8+delta)

Results from the study of a highly overdoped (OD) Bi(2)Sr(2)CaCu(2)O(8+delta) with a T(c) = 51 K using angle-resolved photoemission spectroscopy are presented. We observe a sharp peak in the spectra near ( pi,0) that persists well above T(c), a nodal self-energy which approaches that seen for the Mo(110) surface state, and a more k-independent line shape at the Fermi surface than the lower-doped cuprates. This allows for a realistic comparison of the lifetime values to the experimental resistivity measurements. These observations point to the validity of the quasiparticle picture for the OD even in the normal state.     

Quasiparticle lifetime in graphite studied by ultrahigh-resolution ARPES

We have performed ultrahigh-resolution angle-resolved photoemission spectroscopy (ARPES) to elucidate the nature of quasiparticle dynamics in graphite. We found fairly sharp quasiparticle peak of π band around K(H) point in the vicinity of the Fermi level, together with the strong mass renormalization of the band (kink). The imaginary part of electron self-energy (ImΣ) shows a sudden drop below 0.18 eV, indicative of a strong electron-phonon coupling. The linear energy dependence of ImΣ at higher binding energies provides an evidence for the deviation from the conventional Fermi liquid theory.     

Dichotomy between nodal and antinodal quasiparticles in underdoped (La2-xSrx)CuO4 superconductors

High resolution angle-resolved photoemission measurements on an underdoped (La(2-x)Srx)CuO4 system show that, at energies below 70 meV, the quasiparticle peak is well defined around the (pi/2,pi/2) nodal region and disappears rather abruptly when the momentum is changed from the nodal point to the (pi,0) antinodal point along the underlying "Fermi surface." It indicates that there is an extra low energy scattering mechanism acting upon the antinodal quasiparticles. We propose that this mechanism is the scattering of quasiparticles across the nearly parallel segments of the Fermi surface near the antinodes.     

Optical self-energy in graphene due to correlations

In highly correlated systems one can define an optical self-energy in analogy to its quasiparticle (QP) self-energy counterpart. This quantity provides useful information on the nature of the excitations involved in inelastic scattering processes. Here we calculate the self-energy of the intraband optical transitions in graphene originating in the electron-electron interaction (EEI) as well as electron-phonon interaction (EPI). Although optics involves an average over all momenta (k) of the charge carriers, the structure in the optical self-energy is nevertheless found to mirror mainly that of the corresponding quasiparticles for k equal to or near the Fermi momentum k(F). Consequently, plasmaronic structures which are associated with momenta near the Dirac point at k = 0 are not important in the intraband optical response. While the structure of the electron-phonon interaction (EPI) reflects the sharp peaks of the phonon density of states, the excitation spectrum associated with the electron-electron interaction is in comparison structureless and flat and extends over an energy range which scales linearly with the value of the chemical potential. We introduce a method whereby detailed quantitative information on such excitation spectra can be extracted from optical data. Modulations seen on the edge of the interband optical conductivity as it rises towards its universal background value are traced to structure in the quasiparticle self-energies around k(F) of the lower Dirac cone associated with the occupied states.     

Electronic quasiparticle renormalization on the spin wave energy scale

High-resolution photoemission data of the (110) iron surface reveal the existence of well-defined metallic surface resonances in good correspondence to band calculations. Close to the Fermi level, their dispersion and momentum broadening display anomalies characteristic of quasiparticle renormalization due to coupling to bosonic excitations. Its energy scale exceeds that of phonons by far, and is in striking coincidence with that of the spin wave spectrum in iron. The self-energy behavior thus gives spectroscopic evidence of a quasiparticle mass enhancement due to electron-magnon coupling.     

Effect of Holstein phonons on the optical conductivity of gapped graphene

We study the optical conductivity of a doped graphene when a sublattice symmetry breaking is occurred in the presence of the electron-phonon interaction. Our study is based on the Kubo formula that is established upon the retarded self-energy. We report new features of both the real and imaginary parts of the quasiparticle self-energy in the presence of a gap opening. We find an analytical expression for the renormalized Fermi velocity of massive Dirac Fermions over broad ranges of electron densities, gap values and the electron-phonon coupling constants. Finally we conclude that the inclusion of the renormalized Fermi energy and the band gap effects are indeed crucial to get reasonable feature for the optical conductivity.     

Photoemission quasiparticle spectra of Sr2RuO4

Multiband quasiparticle calculations based on perturbation theory and dynamical mean-field methods show that the creation of a photoemission hole state in Sr2RuO4 is associated with a highly anisotropic self-energy. Since the narrow Ru-derived d(xz,yz) bands are more strongly distorted by Coulomb correlations than the wide d(xy) band, charge is partially transferred from d(xz,yz) to d(xy), thereby shifting the d(xy) Van Hove singularity close to the Fermi level.     

Raising Bi-O bands above the Fermi energy level of hole-doped Bi2Sr2CaCu2O8+delta and other cuprate superconductors

The Fermi surface (FS) of Bi2Sr2CaCu2O8+delta (Bi2212) predicted by band theory displays Bi-related pockets around the (pi, 0) point, which have never been observed experimentally. We show that when the effects of hole doping either by substituting Pb for Bi or by adding excess O in Bi2212 are included, the Bi-O bands are lifted above the Fermi energy (E(F)) and the resulting first-principles FS is in remarkable accord with measurements. With decreasing hole doping the Bi-O bands drop below and the system self-dopes below a critical hole concentration. Computations on other Bi- as well as Tl- and Hg-based compounds indicate that lifting of the cation-derived band with hole doping is a general property of the electronic structures of the cuprates.     

Remnant Fermi surface in a pseudogap regime of the two-dimensional Hubbard model at finite temperature

A precursor effect on the Fermi surface in the two-dimensional Hubbard model at finite temperatures near the antiferromagnetic instability is studied using three different itinerant approaches: the second order perturbation theory, the paramagnon theory (PT), and the two-particle self-consistent (TPSC) approach. In general, at finite temperature, the Fermi surface of the interacting electron systems is not sharply defined due to the broadening effects of the self-energy. In order to take account of those effects we consider the single-particle spectral function A(, 0) at the Fermi level, to describe the counterpart of the Fermi surface at T = 0. We find that the Fermi surface is destroyed close to the pseudogap regime due to the spin-fluctuation effects in both PT and TPSC approaches. Moreover, the top of the effective valence band is located around = (π/2,π/2) in agreement with earlier investigations on the single-hole motion in the antiferromagnetic background. A crossover behavior from the Fermi-liquid regime to the pseudogap regime is observed in the electron concentration dependence of the spectral function and the self-energy. Received 8 September 2000 and Received in final form 20 December 2000     

Self-consistent green function approach for calculation of electronic structure in transition metals

We present an approach for self-consistent calculations of the many-body Green function in transition metals. The distinguishing feature of our approach is the use of one-site approximation and the self-consistent quasiparticle wave function basis set obtained from the solution of the Schr?dinger equation with a nonlocal potential. We analyze several sets of skeleton diagrams as generating functionals for the Green function self-energy, including GW and fluctuating exchange sets. Calculations for Fe and Ni revealed stronger energy dependence of the effective interaction and self-energy of the d electrons near the Fermi level compared to s and p electron states.     

Anomalous enhancement of the coupling to the magnetic resonance mode in underdoped Pb-Bi2212

High-resolution angle-resolved photoemission with variable excitation energies is used to disentangle bilayer splitting effects and intrinsic (self-energy) effects in the electronic spectral function near the (pi,0) point of differently doped (Pb,Bi)(2)Sr(2)CaCu(2)O(8+delta). In contrast to overdoped samples, where intrinsic effects at the (pi,0) point are virtually absent, we find in underdoped samples intrinsic effects in the superconducting-state (pi,0) spectra of the antibonding band. This intrinsic effect is present only below the critical temperature and weakens considerably with doping. Our results give strong support for models which involve a strong coupling of electronic excitations with the resonance mode seen in inelastic neutron scattering experiments.     

Staggered flux fluctuations and the quasiparticle scattering rate in the SU(2) gauge theory of the t-J model

We study staggered flux fluctuations around the superconducting state of the SU(2) mean-field theory for the two-dimensional t-J model and their effect on the electron spectral function. The quasiparticle peaks near (pi,0),(0,pi) get strongly broadened and partially wiped out by these fluctuations while the quasiparticle peaks near the nodes of the d-wave gap are preserved over a wide parameter range. The strength of these effects is governed by an energy scale that decreases towards zero for doping x-->0 and that is related to the energy splitting between the SU(2)-related superconducting and staggered flux mean-field states.     

Quasiparticle line shape of Sr2RuO4 and its relation to anisotropic transport

The bulk-representative low-energy spectrum of Sr2RuO4 can be directly measured by angle-resolved photoemission. We find that the quasiparticle spectral line shape of Sr2RuO4 is sensitive to both temperature and momentum. Along the (0,0)-(pi,0) direction, both gamma and beta bands develop a sharp quasiparticle peak near k(F) at low temperatures, but as the temperature increases the spectra quickly lose coherent weight and become broad backgrounds above approximately 130 K, which is the metal-nonmetal crossover temperature, T(M), in the c-axis resistivity. However, spectra along the (0,0)-(pi,pi) direction evolve smoothly across T(M). A simple transport model can describe both in-plane and c-axis resistivity in terms of the quasiparticle line shape. Comparisons are also made to the cuprates, with implications for two dimensionality, magnetic fluctuations, and superconductivity.     

Anomalous momentum dependence of the quasiparticle scattering rate in overdoped Bi2Sr2CaCu2O8

The question of the anisotropy of the electron scattering in high temperature superconductors is investigated using high resolution angle-resolved photoemission data from Pb-doped Bi2Sr2CaCu2O8 (Bi2212) with suppressed superstructure. The scattering rate of low energy electrons along two bilayer-split pieces of the Fermi surface is measured (via the quasiparticle peak width), and no increase of scattering towards the antinode (pi,0) region is observed, contradicting the expectation from Q=(pi,pi) scattering. The results put a limit on the effects of Q=(pi,pi) scattering on the electronic structure of this overdoped superconductor with still very high T(c).     

Angle-resolved photoemission spectroscopy of the antiferromagnetic superconductor Nd1.87Ce0.13CuO4: anisotropic spin-correlation gap, pseudogap, and the induced quasiparticle mass enhancement

We performed high-resolution angle-resolved photoemission spectroscopy on Nd1.87Ce0.13CuO4, which is located at the boundary of the antiferromagnetic (AF) and the superconducting phase. We observed that the quasiparticle (QP) effective mass around (pi,0) is strongly enhanced due to the opening of the AF gap. The QP mass and the AF gap are found to be anisotropic, with the largest value near the intersecting point of the Fermi surface and the AF zone boundary. In addition, we observed that the QP peak disappears around the Néel temperature (TN) while the AF pseudogap is gradually filled up at much higher temperatures, possibly due to the short-range AF correlation.     

Magnetism in the single-band Hubbard model

A self-consistent spectral density approach (SDA) is applied to the Hubbard model to investigate the possibility of spontaneous ferro- and antiferromagnetism. The starting point is a two-pole ansatz for the single-electron spectral density, the free parameter of which can be interpreted as energies and spectral weights of respective quasiparticle excitations. They are determined by fitting exactly calculated spectral moments. The resulting self-energy consists of a local and a non-local part. The higher correlation functions entering the spin-dependent local part can be expressed as functionals of the single-electron spectral density. Under certain conditions for the decisive model parameters (Coulomb interaction U, Bloch bandwidth W, band occupation n, temperature T) the local part of the self-energy gives rise to a spin-dependent band shift, thus allowing for spontaneous band magnetism. As a function of temperature, second-order phase transitions are found away from half-filling, but close to half-filling, the system exhibits a tendency towards first-order transitions. The non-local self-energy part is determined by use of proper two-particle spectral densities. Its main influence concerns a (possibly spin-dependent) narrowing of the quasiparticle bands with the tendency to stabilize magnetic solutions. The non-local self-energy part disappears in the limit of infinite dimensions. We present a full evaluation of the Hubbard model in terms of quasiparticle densities of states, quasiparticle dispersions, magnetic phase diagram, critical temperatures (T_c, T_N) as well as spin and particle correlation functions. Special attention is focused on the non-locality of the electronic self-energy, for which some rigorous limiting cases are worked out.     

GdN,GdP和GdAs的电子结构：第一性原理研究

用从头计算第一性原理对Gd-V化合物进行了电子结构与磁性的理论研究.计算的理论基础是密度泛函理论和局域(自旋)密度近似,并应用了相对论性LMTO-ASA计算方法.结果表明Gd-V的非自旋极化能带均为半金属特征.在进行宽能带的自能修正后GdN的非自旋极化能带是半导体行为(E_{g≈019eV).自旋极化的LSDA计算结果表明Gd-V均为半金属性的能带结构,即空带与价带有微弱的交叠.在布里渊区的X点和Γ点,分别有n型和p型色散的能带穿过费米面.对于GdN而言,它的上自旋子带为半金属能带,而下自旋子带却 关键词：}     

Indication of charge-density-wave formation in Bi(111)

Photoemission spectroscopy of Bi(111) reveals a small hexagonal two-dimensional Fermi surface (FS) associated with an electron band centered in the surface Brillouin zone. Along the hexagon the Fermi momentum k(F) ranges from 0.053 to 0.061 A(-1). Temperature dependent valence band spectra show an anisotropic energy gap Delta near the Fermi level. We find a transition temperature of about 75 K. At 11 K, the gap is Delta=4 meV at the corner and Delta=7.5 meV at the side of the hexagon. Arguments based on susceptibility chi(--> q) calculations of a hexagonal FS are used to discuss an incommensurate charge-density-wave (CDW) formation associated with a q(CDW)=0.106 A(-1).     

Absence of a holelike fermi surface for the iron-based K0.8F1.7Se2 superconductor revealed by angle-resolved photoemission spectroscopy

We have performed an angle-resolved photoemission spectroscopy study of the new iron-based superconductor K(0.8)Fe(1.7)Se(2) (T(c)～30 K). Clear band dispersion is observed with the overall bandwidth renormalized by a factor of 2.5 compared to our local density approximation calculations, indicating relatively strong correlation effects. Only an electronlike band crosses the Fermi energy, forming a nearly circular Fermi surface (FS) at M (π, 0). The holelike band at Γ sinks ～90 meV below the Fermi energy, with an indirect band gap of 30 meV, to the bottom of the electronlike band. The observed FS topology in this superconductor favors (π, π) inter-FS scattering between the electronlike FSs at the M points, in sharp contrast to other iron-based superconductors which favor (π, 0) inter-FS scattering between holelike and electronlike FSs.