Theory of Spin-Resolved Auger-Electron Spectroscopy from Ferromagnetic 3d-Transition Metals

CVV Auger electron spectra are calculated for a multi-band Hubbard model including correlations among the valence electrons as well as correlations between core and valence electrons. The interest is focused on the ferromagnetic 3d-transition metals. The Auger line shape is calculated from a three-particle Green function. A realistic one-particle input is taken from tight-binding band-structure calculations. Within a diagrammatic approach we can distinguish between the \textit{direct} correlations among those electrons participating in the Auger process and the \textit{indirect} correlations in the rest system. The indirect correlations are treated within second-order perturbation theory for the self-energy. The direct correlations are treated using the valence-valence ladder approximation and the first-order perturbation theory with respect to valence-valence and core-valence interactions. The theory is evaluated numerically for ferromagnetic Ni. We discuss the spin-resolved quasi-particle band structure and the Auger spectra and investigate the influence of the core hole.Comment: LaTeX, 12 pages, 8 eps figures included, Phys. Rev. B (in press

Influence of uncorrelated overlayers on the magnetism in thin itinerant-electron films

The influence of uncorrelated (nonmagnetic) overlayers on the magnetic properties of thin itinerant-electron films is investigated within the single-band Hubbard model. The Coulomb correlation between the electrons in the ferromagnetic layers is treated by using the spectral density approach (SDA). It is found that the presence of nonmagnetic layers has a strong effect on the magnetic properties of thin films. The Curie temperatures of very thin films are modified by the uncorrelated overlayers. The quasiparticle density of states is used to analyze the results. In addition, the coupling between the ferromagnetic layers and the nonmagnetic layers is discussed in detail. The coupling depends on the band occupation of the nonmagnetic layers, while it is almost independent of the number of the nonmagnetic layers. The induced polarization in the nonmagnetic layers shows a long-range decreasing oscillatory behavior and it depends on the coupling between ferromagnetic and nonmagnetic layers.Comment: 9 pages, RevTex, 6 figures, for related work see: http://orion.physik.hu-berlin.d

Mott transitions in correlated electron systems with orbital degrees of freedom

Mott metal-insulator transitions in an M-fold orbitally degenerate Hubbard model are studied by means of a generalization of the linearized dynamical mean-field theory. The method allows for an efficient and reliable determination of the critical interaction U_c for any integer filling n and different M at zero temperature. For half-filling a linear dependence of U_c on M is found. Inclusion of the (full) Hund's rule exchange J results in a strong reduction of U_c. The transition turns out to change qualitatively from continuous for J=0 to discontinuous for any finite J

Electron-correlation effects in appearance-potential spectra of Ni

Spin-resolved and temperature-dependent appearance-potential spectra of ferromagnetic Nickel are measured and analyzed theoretically. The Lander self-convolution model which relates the line shape to the unoccupied part of the local density of states turns out to be insufficient. Electron correlations and orbitally resolved transition-matrix elements are shown to be essential for a quantitative agreement between experiment and theory.Comment: LaTeX, 6 pages, 2 eps figures included, Phys. Rev. B (in press

Kondo screening and exhaustion in the periodic Anderson model

We investigate the paramagnetic periodic Anderson model using the dynamical mean-field theory in combination with the modified perturbation theory which interpolates between the weak and strong coupling limits. For the symmetric PAM, the ground state is always a singlet state. However, as function of the hybridization strength, a crossover from collective to local Kondo screening is found. Reducing the number of conduction electrons, the local Kondo singlets remain stable. The unpaired f-electrons dominate the physics of the system. For very low conduction electron densities, a large increase of the effective mass of the quasiparticles is visible, which is interpreted as the approach of the Mott-Hubbard transition.Comment: 10 pages, 8 figures, accepted by Phys. Rev.

Proper weak-coupling approach to the periodic s-d(f) exchange model

The periodic s-d(f) exchange model is characterized by a wide variety of interesting applications, a simple mathematical structure and a limited number of reliable approximations which take care of the quantum nature of the participating spins. We suggest the use of a projection-operator method for getting information perturbationally, which are not accessible via diagrammatic approaches. In this paper we present in particular results beyond perturbation theory, which are obtained such that almost all exactly known limiting cases are incorporated correctly. We discuss a variety of possible methods and evaluate their consequences for one-particle properties. These considerations serve as a guideline for a more effective approach to the model.Comment: 11 pages, 6 figures; accepted by Phys. Rev.

Dynamical mean-field study of ferromagnetism in the periodic Anderson model

The ferromagnetic phase diagram of the periodic Anderson model is calculated using dynamical mean-field theory in combination with the modified perturbation theory. Concentrating on the intermediate valence regime, the phase boundaries are established as function of the total electron density, the position of the atomic level and the hybridization strength. The main contribution to the magnetic moment stems from the f-electrons. The conduction band polarization is, depending on the system parameters either parallel or antiparallel to the f-magnetization. By investigating the densities of states, one observes that the change of sign of the conduction band polarization is closely connected to the hybridization gap, which is only apparent in the case of almost complete polarization of the f-electrons. Finite-temperature calculations are also performed, the Curie temperature as function of electron density and f-level position are determined. In the intermediate-valence regime, the phase transitions are found to be of second order.Comment: 12 pages, 11 figures, accepted by Phys. Rev.

Strong-coupling approach for strongly correlated electron systems

A perturbation theory scheme in terms of electron hopping, which is based on the Wick theorem for Hubbard operators, is developed. Diagrammatic series contain single-site vertices connected by hopping lines and it is shown that for each vertex the problem splits into the subspaces with ``vacuum states'' determined by the diagonal Hubbard operators and only excitations around these vacuum states are allowed. The rules to construct diagrams are proposed. In the limit of infinite spatial dimensions the total auxiliary single-site problem exactly splits into subspaces that allows to build an analytical thermodynamically consistent approach for a Hubbard model. Some analytical results are given for the simple approximations when the two-pole (alloy-analogy solution) and four-pole (Hartree-Fock approximation) structure for Green's function is obtained. Two poles describe contribution from the Fermi-liquid component, which is dominant for small electron and hole concentrations (``overdoped case'' of high-$T_c$'s), whereas other two describe contribution from the non-Fermi liquid and are dominant close to half-filling (``underdoped case'').Comment: 14 pages, revtex, feynmf, 5 EPS figures, two-column PRB style, published in PR

Tuning a Josephson junction through a quantum critical point

We tune the barrier of a Josephson junction through a zero-temperature metal-insulator transition and study the thermodynamic behavior of the junction in the proximity of the quantum-critical point. We examine a short-coherence-length superconductor and a barrier (that is described by a Falicov-Kimball model) using the local approximation and dynamical mean-field theory. The inhomogeneous system is self-consistently solved by performing a Fourier transformation in the planar momentum and exactly inverting the remaining one-dimensional matrix with the renormalized perturbation expansion. Our results show a delicate interplay between oscillations on the scale of the Fermi wavelength and pair-field correlations on the scale of the coherence length, variations in the current-phase relationship, and dramatic changes in the characteristic voltage as a function of the barrier thickness or correlation strength (which can lead to an ``intrinsic'' pinhole effect).Comment: 16 pages, 15 figures, ReVTe

Interpolating self-energy of the infinite-dimensional Hubbard model: Modifying the iterative perturbation theory

We develop an analytical expression for the self-energy of the infinite-dimensional Hubbard model that is correct in a number of different limits. The approach represents a generalization of the iterative perturbation theory to arbitrary fillings. In the weak-coupling regime perturbation theory to second order in the interaction U is recovered. The theory is exact in the atomic limit. The high-energy behavior of the self-energy up to order (1/E)**2 and thereby the first four moments of the spectral density are reproduced correctly. Referring to a standard strong-coupling moment method, we analyze the limit of strong U. Different modifications of the approach are discussed and tested by comparing with the results of an exact diagonalization study.Comment: LaTeX, 14 pages, 5 ps figures included, title changed, references updated, minor change