857 research outputs found
Effects of Core-Hole Screening on Spin-Polarised Auger Spectra from Ferromagnetic Nickel
We calculate the spin- and temperature-dependent local density of states for
ferromagnetic Ni in the presence of a core hole at a distinguished site in the
lattice. Correlations among the valence electrons and between valence and core
electrons are described within a multi-band Hubbard model which is treated by
means of second-order perturbation theory around the Hartree-Fock solution. The
core-hole potential causes strong screening effects in the Ni valence band. The
local magnetic moment is found to be decreased by a factor 5-6. The
consequences for the spin polarisation of CVV Auger electrons are discussed.Comment: LaTeX, 4 pages, 1 eps figure included, Acta Physica Polonica A (in
press), Physics of Magnetism '99 (Poznan, Poland
Optimization of alloy-analogy-based approaches to the infinite-dimensional Hubbard model
An analytical expression for the self-energy of the infinite-dimensional
Hubbard model is proposed that interpolates between different exactly solvable
limits. We profit by the combination of two recent approaches that are based on
the alloy-analogy (Hubbard-III) solution: The modified alloy-analogy (MAA)
which focuses on the strong-coupling regime, and the Edwards-Hertz approach
(EHA) which correctly recovers the weak-coupling regime. Investigating the
high-energy expansion of the EHA self-energy, it turns out that the EHA
reproduces the first three exactly known moments of the spectral density only.
This may be insufficient for the investigation of spontaneous magnetism. The
analysis of the high-energy behavior of the CPA self-consistency equation
allows for a new interpretation of the MAA: The MAA is the only (two-component)
alloy-analogy that correctly takes into account the first four moments of the
spectral density. For small U, however, the MAA does not reproduce Fermi-liquid
properties. The defects of the MAA as well as of the EHA are avoided in the new
approach. We discuss the prospects of the theory and present numerical results
in comparison with essentially exact quantum Monte Carlo data. The correct
high-energy behavior of the self-energy is proved to be a decisive ingredient
for a reliable description of spontaneous magnetism.Comment: LaTeX, 18 pages, 12 eps figures include
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
The asymmetric single-impurity Anderson model - the modified perturbation theory
We investigate the single-impurity Anderson model by means of the recently
introduced modified perturbation theory. This approximation scheme yields
reasonable results away from the symmetric case. The agreement with exactly
known results for the symmetric case is checked, and results for the
non-symmetric case are presented. With decreasing conduction band occupation,
the breakdown of the screening of the local moment is observed. In the
crossover regime between Kondo limit and mixed-valence regime, an enhanced
zero-temperature susceptibility is found.Comment: 7 pages, 7 figures, to appear in Physica
On the magnetic stability at the surface in strongly correlated electron systems
The stability of ferromagnetism at the surface at finite temperatures is
investigated within the strongly correlated Hubbard model on a semi-infinite
lattice. Due to the reduced surface coordination number the effective Coulomb
correlation is enhanced at the surface compared to the bulk. Therefore, within
the well-known Stoner-picture of band ferromagnetism one would expect the
magnetic stability at the surface to be enhanced as well. However, by taking
electron correlations into account well beyond the Hartree-Fock (Stoner) level
we find the opposite behavior: As a function of temperature the magnetization
of the surface layer decreases faster than in the bulk. By varying the hopping
integral within the surface layer this behavior becomes even more pronounced. A
reduced hopping integral at the surface tends to destabilize surface
ferromagnetism whereas the magnetic stability gets enhanced by an increased
hopping integral. This behavior represents a pure correlation effect and can be
understood in terms of general arguments which are based on exact results in
the limit of strong Coulomb interaction.Comment: 6 pages, RevTeX, 4 eps figures, accepted (Phys. Rev. B), for related
work and info see http://orion.physik.hu-berlin.d
Two-site dynamical mean-field theory
It is shown that a minimum realization of the dynamical mean-field theory
(DMFT) can be achieved by mapping a correlated lattice model onto an impurity
model in which the impurity is coupled to an uncorrelated bath that consists of
a single site only. The two-site impurity model can be solved exactly. The
mapping is approximate. The self-consistency conditions are constructed in a
way that the resulting ``two-site DMFT'' reduces to the previously discussed
linearized DMFT for the Mott transition. It is demonstrated that a reasonable
description of the mean-field physics is possible with a minimum computational
effort. This qualifies the simple two-site DMFT for a systematic study of more
complex lattice models which cannot be treated by the full DMFT in a feasible
way. To show the strengths and limitations of the new approach, the single-band
Hubbard model is investigated in detail. The predictions of the two-site DMFT
are compared with results of the full DMFT. Internal consistency checks are
performed which concern the Luttinger sum rule, other Fermi-liquid relations
and thermodynamic consistency.Comment: LaTeX, 14 pages, 8 eps figures included, Phys. Rev. B (in press
Temperature-dependent electronic structure and ferromagnetism in the d=oo Hubbard model studied by a modfied perturbation theory
The infinite-dimensional Hubbard model is studied by means of a modified
perturbation theory. The approach reduces to the iterative perturbation theory
for weak coupling. It is exact in the atomic limit and correctly reproduces the
dispersions and the weights of the Hubbard bands in the strong-coupling regime
for arbitrary fillings. Results are presented for the hyper-cubic and an
fcc-type lattice. For the latter we find ferromagnetic solutions. The
filling-dependent Curie temperature is compared with the results of a recent
Quantum Monte Carlo study.Comment: RevTeX, 5 pages, 6 eps figures included, Phys. Rev. B (in press),
Ref. 16 correcte
Surface metal-insulator transition in the Hubbard model
The correlation-driven metal-insulator (Mott) transition at a solid surface
is studied within the Hubbard model for a semi-infinite lattice by means of the
dynamical mean-field theory. The transition takes place at a unique critical
strength of the interaction. Depending on the surface geometry, the interaction
strength and the wave vector, we find one-electron excitations in the coherent
part of the surface-projected metallic spectrum which are confined to two
dimensions.Comment: LaTeX, 9 pages, 5 eps figures included, Phys. Rev. B (in press
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