Electronic structure of MgB2 from angle-resolved photoemission spectroscopy

The first angle-resolved photoemission spectroscopy results from MgB2 single crystals are reported. Along the GammaK and GammaM directions, we observed three distinct dispersive features approaching the Fermi energy. These can be assigned to the theoretically predicted sigma (B 2p(x,y)) and pi (B 2p(z)) bands. In addition, a small parabolic-like band is detected around the Gamma point, which can be attributed to a surface-derived state. The overall agreement between our results and the band calculations suggests that the electronic structure of MgB2 is of a conventional nature, thus implying that electron correlations are weak and may be of little importance to superconductivity in this system.     

Ta 5d band symmetry of 1T-TaS1.2Se0.8 in the commensurate charge-density-wave phase

We present a detailed angle-resolved photoemission study on the layered transition-metal dichalcogenide 1T-TaS1.2Se0.8 in the commensurate charge-density-wave (CDW) phase. A drastic reduction in the spectral weight along the high symmetry line GammaM, particularly around the point M, is observed when s-polarized light was used. This implies that the initial state must be symmetric with respect to a mirror plane perpendicular to the line GammaK, which is consistent with conventional band calculations in the absence of the CDW. We conclude that there is only a limited amount of modification of the electronic structure of 1T-TaS1.2Se0.8 in the commensurate CDW phase due to the CDW-related potential.     

Electron correlation and fermi surface topology of NaxCoO2

The electronic structure of NaxCoO2 revealed by recent photoemission experiments shows important deviations from band theory predictions. The six small Fermi surface pockets predicted by local-density approximation calculations have not been observed as the associated e'(g) band fails to cross the Fermi level for a wide range of sodium doping concentration x. In addition, significant bandwidth renormalizations of the t(2g) complex have been observed. We show that these discrepancies are due to strong electronic correlations by studying the multiorbital Hubbard model in the Hartree-Fock and strong-coupling Gutzwiller approximation. The quasiparticle dispersion and the Fermi surface topology obtained in the presence of strong local Coulomb repulsion are in good agreement with experiments.     

Fermi surface and quasiparticle dynamics of Na0.7CoO2 investigated by angle-resolved photoemission spectroscopy

We present the first angle-resolved photoemission study of Na0.7CoO2, the host material of the superconducting NaxCoO2.nH(2)O series. Our results show a hole-type Fermi surface, a strongly renormalized quasiparticle band, a small Fermi velocity, and a large Hubbard U. The quasiparticle band crosses the Fermi level from M toward Gamma suggesting a negative sign of effective single-particle hopping t(eff) (about 10 meV) which is on the order of magnetic exchange coupling J in this system. Quasiparticles are well defined only in the T-linear resistivity (non-Fermi-liquid) regime. Unusually small single-particle hopping and unconventional quasiparticle dynamics may have implications for understanding the phase of matter realized in this new class of a strongly interacting quantum system.     

Evolution of the Fermi surface and quasiparticle renormalization through a van Hove singularity in Sr2-yLayRuO4

We employ a combination of chemical substitution and angle resolved photoemission spectroscopy to prove that the Fermi level in the gamma band of Sr(2-y)La(y)RuO(4) can be made to traverse a van Hove singularity. Remarkably, the large mass renormalization has little dependence on either k or doping. By combining the results from photoemission with thermodynamic measurements on the same batches of crystals, we deduce a parametrization of the full many-body quasiparticle dispersion in Sr(2)RuO(4) which extends from the Fermi level to approximately 20 meV above it.     

Kinks, nodal bilayer splitting, and interband scattering in YBa2Cu3O(6+x)

We apply the new-generation angle-resolved photoemission spectroscopy methodology to the most widely studied cuprate superconductor YBa2Cu3O(6+x). Considering the nodal direction, we found noticeable renormalization effects known as kinks both in the quasiparticle dispersion and scattering rate, the bilayer splitting, and evidence for strong interband scattering--all the characteristic features of the nodal quasiparticles detected earlier in Bi2Sr2CaCu2O(8+delta). The typical energy scale and the doping dependence of the kinks clearly point to their intimate relation with the spin-1 resonance seen in the neutron scattering experiments. Our findings strongly suggest a universality of the electron dynamics in the bilayer superconducting cuprates and a dominating role of the spin fluctuations in the formation of the quasiparticles along the nodal direction.     

Quasiparticle anisotropy and pseudogap formation from the weak-coupling renormalization group point of view

Using the one-loop functional renormalization group technique, we evaluate the self-energy in the weak-coupling regime of the 2D t-t(') Hubbard model. At van Hove (vH) band fillings and at low temperatures, the quasiparticle weight along the Fermi surface (FS) continuously vanishes on approaching the (pi,0) point where the quasiparticle concept is invalid. Away from vH band fillings the quasiparticle peak is formed inside an anisotropic pseudogap and the self-energy has the conventional Fermi-liquid characteristics near the Fermi level. The spectral weight of the quasiparticle features is reduced on parts of the FS between the near vicinity of hot spots and the FS points closest to (pi,0) and (0,pi).     

Nesting, spin fluctuations, and odd-gap superconductivity in NaxCoO2.yH2O

We calculated the one-electron susceptibility of hydrated NaxCoO2 and find strong nesting, involving about 70% of all electrons at the Fermi level and nearly commensurate with a 2 x 2 superstructure. This nesting creates a tendency to a charge density wave compatible with the charge order often seen at x approximately 0.5 and usually ascribed to electrostatic repulsion of Na ions. In the spin channel, it leads to strong spin fluctuations, which should be important for superconductivity. The state most compatible with this nesting structure is an odd-gap triplet s-wave state.     

Magnetic ordering and spin waves in Na0.82CoO2

NaxCoO2, the parent compound of the recently synthesized superconductor Na(x)CoO(2):yH(2)O, exhibits bulk antiferromagnetic order below approximately 20 K for 0.75相似文献   

Strong correlations produce the Curie-Weiss phase of NaxCoO2

Within the t-J model we study several experimentally accessible properties of the 2D-triangular lattice system NaxCoO2, using a numerically exact canonical ensemble study of 12 to 18 site triangular toroidal clusters as well as the icosahedron. Focusing on the doping regime of x approximately 0.7, we study the temperature dependent specific heat, magnetic susceptibility, and the dynamic Hall coefficient R_{H}(T,omega) as well as the magnetic field dependent thermopower. We find a crossover between two phases near x approximately 0.75 in susceptibility and field suppression of the thermopower arising from strong correlations. An interesting connection is found between the temperature dependence of the diamagnetic susceptibility and the Hall coefficient. We predict a large thermopower enhancement, arising from transport corrections to the Heikes-Mott formula, in a model situation where the sign of hopping is reversed from that applicable to NaxCoO2.     

Renormalization of the chemical potential due to multiphonon effects at the surface of metals

We study the relation between renormalization of the chemical potential due to multiphonon effects at the surface of Be(0001) and doping by solving the strong-coupling self-consistent equations of a two-dimensional(2D) electron-phonon interaction system.We present the quasiparticle dispersions and inverse lifetimes of a 2D electron system interacting with Einstein phonons under the different dopings(corresponding to chemical potentials).We find that the effect of electron-phonon interaction on electron structure is strongest at the half filling,but it has no effect on the chemical potential.However,the chemical potential shows distinct renormalization effects away from half filling due to the electron-phonon interaction.     

Quasiparticle effects on tunneling currents: a study of C2H4 adsorbed on the Si(001)- (2 x 1) surface

We present a first-principles calculation of the quasiparticle electronic structure of ethylene adsorbed on the dimer reconstructed Si(001)-(2x1) surface. Within the GW approximation, the self-energy corrections for the adsorbate states are found to be about 1.5 eV larger than those for the states derived from bulk silicon. The calculated quasiparticle band structure is in excellent agreement with photoemission spectra. Finally, the effects of the quasiparticle corrections on the scanning tunneling microscope images of the adsorbed molecules are shown to be important as the lowering of the C2H4 energy levels within GW strongly reduces their tunneling probability.     

Angle-resolved photoemission study of the cobalt oxide superconductor Na(x)CoO(2) x yH(2)O: observation of the Fermi surface

The cobalt oxide superconductor Na(x)CoO(2) x yH(2)O is studied by angle-resolved photoemission spectroscopy. We report the Fermi surface (FS) topology and electronic structure near the Fermi level (E(F)) in the normal state of Na(x)CoO(2) x yH(2)O. Our result indicates the presence of the hexagonal FS centered at the Gamma point, while the small pocket FSs along Gamma-K direction are absent, similar to Na(x)CoO(2). The top of the e(g)(') band, which is expected in band calculations to form the small pocket FSs, extends to within approximately 30 meV below E(F), closer to E(F) than in Na(x)CoO(2). We discuss its possible role in superconductivity, comparing with other experimental and theoretical results.     

Ferromagnetic fluctuation and possible triplet superconductivity in NaxCoO2.yH2O: fluctuation-exchange study of the multiorbital Hubbard model

Spin and charge fluctuations and superconductivity in NaxCoO2.yH(2)O are studied based on a multiorbital Hubbard model. Tight-binding parameters are determined to reproduce the results of band calculations. By applying the fluctuation-exchange approximation, we show that the Hund's-rule coupling between the Co t(2g) orbitals causes ferromagnetic (FM) spin fluctuation. Triplet fy((y(2)-3x(2)))-wave and p-wave pairings are favored by this FM fluctuation on the hole-pocket band. We propose that, in NaxCoO2.yH(2)O, the Co t(2g) orbitals and interorbital Hund's-rule coupling play important roles on the triplet pairing, and this compound can be a first example of the triplet superconductor in which the orbital degrees of freedom play substantial roles.     

Electron-doping versus hole-doping in the 2D t-t' Hubbard model

We compare the one-loop renormalization group flow to strong coupling of the electronic interactions in the two-dimensional t-t'-Hubbard model with t' = - 0.3t for band fillings smaller and larger than half-filling. Using a numerical N-patch scheme ( N = 32, ..., 96) we show that in the electron-doped case with decreasing electron density there is a rapid transition from a d _{x2 - y2}-wave superconducting regime with small characteristic energy scale to an approximate nesting regime with strong antiferromagnetic tendencies and higher energy scales. This contrasts with the hole-doped side discussed recently which exhibits a broad parameter region where the renormalization group flow suggests a truncation of the Fermi surface at the saddle points. We compare the quasiparticle scattering rates obtained from the renormalization group calculation which further emphasize the differences between the two cases. Received 19 December 2000 and Received in final form 28 February 2001     

Electronic dispersion anomalies in iron pnictide superconductors

Recently, experimental studies of the spin excitation spectrum revealed a strong temperature dependence in the normal state and a resonance feature in the superconducting state of several Fe-based superconductors. Based on these findings, we develop a model of electrons interacting with a temperature dependent magnetic excitation spectrum and apply it to angle resolved photoemission in Ba(1-x)K(x)Fe(2)As(2). We reproduce in quantitative agreement with experiment a renormalization of the quasiparticle dispersion both in the normal and the superconducting state, and the dependence of the quasiparticle linewidth on binding energy. We estimate the strength of the coupling between electronic and spin excitations. Our findings support a dominantly magnetic pairing mechanism.     

Spin dynamics in the carrier-doped S=1/2 triangular lattice of NaxCoO2.yH2O

We probed the local electronic properties of the mixed-valent Co+4-x triangular lattice in NaxCoO2.yH(2)O by 59Co NMR. We observed two distinct types of Co sites for x > or =1/2, but the valence seems averaged out for x approximately 1/3. Local spin fluctuations exhibit qualitatively the same trend down to approximately 100 K regardless of the carrier concentration x, and hence the nature of the electronic ground state. A canonical Fermi-liquid behavior emerges below approximately 100 K only for x approximately 1/3.     

Anomalies in the Fermi surface and band dispersion of quasi-one-dimensional CuO chains in the high-temperature superconductor YBa2Cu4O8

We have investigated the electronic states in quasi-one-dimensional CuO chains by microprobe angle resolved photoemission spectroscopy. We find that the quasiparticle Fermi surface consists of six disconnected segments, consistent with recent theoretical calculations that predict the formation of narrow, elongated Fermi surface pockets for coupled CuO chains. In addition, we find a strong renormalization effect with a significant kink structure in the band dispersion. The properties of this latter effect [energy scale (～40 meV), temperature dependence, and behavior with Zn-doping] are identical to those of the bosonic mode observed in CuO2 planes of high-temperature superconductors, indicating they have a common origin.     

Destruction of the small Fermi surfaces in NaxCoO2 by disorder

We show using density functional calculations that the small e'g Fermi surfaces in NaxCoO2 are destroyed by Na disorder. This provides a means to resolve the prediction of these sections in band structure calculations with their nonobservation in angle resolved photoemission experiments.     

Complete d-band dispersion relation in sodium cobaltates

We utilize fine-tuned polarization selection coupled with excitation-energy variation of photoelectron signal to image the complete d-band dispersion relation in sodium cobaltates. A hybridization gap anticrossing is observed along the Brillouin zone corner and the full quasiparticle band is found to emerge as a many-body entity lacking a pure orbital polarization. At low dopings, the quasiparticle bandwidth (Fermion scale, many-body E(F) approximately 0.25 eV) is found to be smaller than most known oxide metals. The low-lying density of states is found to be in agreement with bulk-sensitive thermodynamic measurements for nonmagnetic dopings where the 2D Luttinger theorem is also observed to be satisfied.