121 research outputs found
Mean-field theories for disordered electrons: Diffusion pole and Anderson localization
We discuss conditions to be put on mean-field-like theories to be able to
describe fundamental physical phenomena in disordered electron systems. In
particular, we investigate options for a consistent mean-field theory of
electron localization and for a reliable description of transport properties.
We argue that a mean-field theory for the Anderson localization transition must
be electron-hole symmetric and self-consistent at the two-particle (vertex)
level. We show that such a theory with local equations can be derived from the
asymptotic limit to high spatial dimensions. The weight of the diffusion pole,
i. e., the number of diffusive states at the Fermi energy, in this mean-field
theory decreases with the increasing disorder strength and vanishes in the
localized phase. Consequences of the disclosed behavior for our understanding
of vanishing of electron diffusion are discussed.Comment: REVTeX4, 11 pages, no figure
Investigation of the nonlocal coherent-potential approximation
Recently the nonlocal coherent-potential approximation (NLCPA) has been
introduced by Jarrell and Krishnamurthy for describing the electronic structure
of substitutionally disordered systems. The NLCPA provides systematic
corrections to the widely used coherent-potential approximation (CPA) whilst
preserving the full symmetry of the underlying lattice. Here an analytical and
systematic numerical study of the NLCPA is presented for a one-dimensional
tight-binding model Hamiltonian, and comparisons with the embedded cluster
method (ECM) and molecular coherent potential approximation (MCPA) are made.Comment: 18 pages, 5 figure
Causality vs. Ward identity in disordered electron systems
We address the problem of fulfilling consistency conditions in solutions for
disordered noninteracting electrons. We prove that if we assume the existence
of the diffusion pole in an electron-hole symmetric theory we cannot achieve a
solution with a causal self-energy that would fully fit the Ward identity.
Since the self-energy must be causal, we conclude that the Ward identity is
partly violated in the diffusive transport regime of disordered electrons. We
explain this violation in physical terms and discuss its consequences.Comment: 4 pages, REVTeX, 6 EPS figure
Doping driven magnetic instabilities and quantum criticality of NbFe
Using density functional theory we investigate the evolution of the magnetic
ground state of NbFe due to doping by Nb-excess and Fe-excess. We find
that non-rigid-band effects, due to the contribution of Fe-\textit{d} states to
the density of states at the Fermi level are crucial to the evolution of the
magnetic phase diagram. Furthermore, the influence of disorder is important to
the development of ferromagnetism upon Nb doping. These findings give a
framework in which to understand the evolution of the magnetic ground state in
the temperature-doping phase diagram. We investigate the magnetic instabilities
in NbFe. We find that explicit calculation of the Lindhard function,
, indicates that the primary instability is to finite
antiferromagnetism driven by Fermi surface nesting. Total energy
calculations indicate that antiferromagnetism is the ground
state. We discuss the influence of competing and finite
instabilities on the presence of the non-Fermi liquid behavior in
this material.Comment: 8 pages, 7 figure
Cluster coherent potential approximation for electronic structure of disordered alloys
We extend the single-site coherent potential approximation (CPA) to include
the effects of non-local disorder correlations (alloy short-range order) on the
electronic structure of random alloy systems. This is achieved by mapping the
original Anderson disorder problem to that of a selfconsistently embedded
cluster. This cluster problem is then solved using the equations of motion
technique. The CPA is recovered for cluster size , and the disorder
averaged density-of-states (DOS) is always positive definite. Various new
features, compared to those observed in CPA, and related to repeated scattering
on pairs of sites, reflecting the effect of SRO are clearly visible in the DOS.
It is explicitly shown that the cluster-CPA method always yields
positive-definite DOS. Anderson localization effects have been investigated
within this approach. In general, we find that Anderson localization sets in
before band splitting occurs, and that increasing partial order drives a
continuous transition from an Anderson insulator to an incoherent metal.Comment: 7 pages, 6 figures. submitted to PR
Nonlocal spectral properties of disordered alloys
A general method is proposed for calculating a fully k-dependent, continuous,
and causal spectral function A(k,E) within the recently introduced nonlocal
version of the coherent-potential approximation (NLCPA). The method involves
the combination of both periodic and anti-periodic solutions to the associated
cluster problem and also leads to correct bulk quantities for small cluster
sizes. We illustrate the method by investigating the Fermi surface of a
two-dimensional alloy. Dramatically, we find a smeared electronic topological
transition not predicted by the conventional CPA.Comment: 17 pages, 5 figures, Submitted to: J. Phys.: Condens. Matter
Editorial receipt 25 May 200
Non-substitutional single-atom defects in the Ge_(1-x)Sn_x alloy
Ge_(1-x)Sn_x alloys have proved difficult to form at large x, contrary to
what happens with other group IV semiconductor combinations. However, at low x
they are typical examples of well-behaved substitutional compounds, which is
desirable for harnessing the electronic properties of narrow band
semiconductors. In this paper, we propose the appearance of another kind of
single-site defect (), consisting of a single Sn atom in the center
of a Ge divacancy, that may account for these facts. Accordingly, we examine
the electronic and structural properties of these alloys by performing
extensive numerical ab-initio calculations around local defects. The results
show that the environment of the defect relaxes towards a cubic
octahedral configuration, facilitating the nucleation of metallic white tin and
its segregation, as found in amorphous samples. Using the information stemming
from these local defect calculations, we built a simple statistical model to
investigate at which concentration these defects can be formed in
thermal equilibrium. These results agree remarkably well with experimental
findings, concerning the critical concentration above which the homogeneous
alloys cannot be formed at room temperature. Our model also predicts the
observed fact that at lower temperature the critical concentration increases.
We also performed single site effective-field calculations of the electronic
structure, which further support our hypothesis.Comment: 12 pages, 1 table, 16 figure
The Age-Related Risk of Co-Existing Meningitis in Children with Urinary Tract Infection
Objective: The primary aim of this study was to determine age-stratified rates of co-existing bacterial meningitis in children with urinary tract infection (UTI). The secondary aims of this study were to determine the causative pathogens of UTI, and the clinical features and outcome of children with co-existing meningitis.Methods: Analysis of data collected over a nine-year period at a tertiary pediatric hospital in Australia. Study population: children below 16 years of age with culture-confirmed UTI and a paired CSF sample.Results: A total of 748 episodes in 735 cases were included in the final analysis. The commonest pathogens causing UTI were Escherichia coli (67.4%), Enterococcus faecalis (8.4%), Klebsiella oxytoca (3.5%) and Klebsiella pneumoniae (3.5%). Only two (1.2%; 95% CI: 0.15–4.36%) of 163 neonates (between 0 and 28 days of age) with UTI had co-existing meningitis. Both presented with pyrexia, irritability and lethargy, and recovered uneventfully with antibiotic treatment. There were no cases of co-existing meningitis among 499 infants (between 29 days and 12 months of age) with UTI (95% CI: 0.00–0.74%), or any of the 86 children aged 12 months or over (95% CI: 0.00–4.20%).Conclusions: These findings indicate that clinicians should have a low threshold to perform a lumbar puncture in neonates with UTI, as the risk of co-existing meningitis is not insignificant in this age group. In contrast, beyond the neonatal period, the risk is small and a more selective approach is warranted
Carrier induced ferromagnetism in diluted magnetic semi-conductors
We present a theory for carrier induced ferromagnetism in diluted magnetic
semi-conductor (DMS). Our approach treats on equal footing quantum fluctuations
within the RPA approximation and disorder within CPA. This method allows for
the calculation of , magnetization and magnon spectrum as a function of
hole, impurity concentration and temperature. It is shown that, sufficiently
close to , and within our decoupling scheme (Tyablicov type) the CPA for
the itinerant electron gas reduces to the Virtual Crystal Approximation. This
allows, in the low impurity concentration and low density of carriers to
provide analytical expression for . For illustration, we consider the case
of and compare our results with available experimental data.Comment: 5 figures included. to appear in Phys. Rev. B (brief report
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