208 research outputs found
K-edge X-ray absorption spectra in transition metal oxides beyond the single particle approximation: shake-up many body effects
The near edge structure (XANES) in K-edge X-ray absorption spectroscopy (XAS)
is a widely used tool for studying electronic and local structure in materials.
The precise interpretation of these spectra with the help of calculations is
hence of prime importance, especially for the study of correlated materials
which have a complicated electronic structure per se. The single particle
approach, for example, has generally limited itself to the dominant dipolar
cross-section. It has long been known however that effects beyond this approach
should be taken into account, both due to the inadequacy of such calculations
when compared to experiment and the presence of shake-up many-body satellites
in core-level photoemission spectra of correlated materials. This effect should
manifest itself in XANES spectra and the question is firstly how to account for
it theoretically and secondly how to verify it experimentally. By using
state-of-the-art first principles electronic structure calculations and 1s
photoemission measurements we demonstrate that shake-up many-body effects are
present in K-edge XAS dipolar spectra of NiO, CoO and CuO at all energy scales.
We show that shake-up effects can be included in K-edge XAS spectra in a simple
way by convoluting the single-particle first-principles calculations including
core-hole effects with the 1s photoemission spectra. We thus describe all
features appearing in the XAS dipolar cross-section of NiO and CoO and obtain a
dramatic improvement with respect to the single-particle calculation in CuO.
These materials being prototype correlated magnetic oxides, our work points to
the presence of shake-up effects in K-edge XANES of most correlated transition
metal compounds and shows how to account for them, paving the way to a precise
understanding of their electronic structure.Comment: 6 pages, 4 picture
Inelastic X-ray Scattering by Electronic Excitations in Solids at High Pressure
Investigating electronic structure and excitations under extreme conditions
gives access to a rich variety of phenomena. High pressure typically induces
behavior such as magnetic collapse and the insulator-metal transition in 3d
transition metals compounds, valence fluctuations or Kondo-like characteristics
in -electron systems, and coordination and bonding changes in molecular
solids and glasses. This article reviews research concerning electronic
excitations in materials under extreme conditions using inelastic x-ray
scattering (IXS). IXS is a spectroscopic probe of choice for this study because
of its chemical and orbital selectivity and the richness of information it
provides. Being an all-photon technique, IXS has a penetration depth compatible
with high pressure requirements. Electronic transitions under pressure in 3d
transition metals compounds and -electron systems, most of them strongly
correlated, are reviewed. Implications for geophysics are mentioned. Since the
incident X-ray energy can easily be tuned to absorption edges, resonant IXS,
often employed, is discussed at length. Finally studies involving local
structure changes and electronic transitions under pressure in materials
containing light elements are briefly reviewed.Comment: submitted to Rev. Mod. Phy
CeRuSn: a strongly correlated material with nontrivial topology
Topological insulators form a novel state of matter that provides new
opportunities to create unique quantum phenomena. While the materials used so
far are based on semiconductors, recent theoretical studies predict that also
strongly correlated systems can show non-trivial topological properties,
thereby allowing even the emergence of surface phenomena that are not possible
with topological band insulators. From a practical point of view, it is also
expected that strong correlations will reduce the disturbing impact of defects
or impurities, and at the same increase the Fermi velocities of the topological
surface states. The challenge is now to discover such correlated materials.
Here, using advanced x-ray spectroscopies in combination with band structure
calculations, we infer that CeRuSn is a strongly correlated material
with non-trivial topology.Comment: 10 pages, 6 figures, submitted to Scientific Report
Mismatch repair SNPs and thyroid cancer susceptibility: a potential role for the MSH6 rs1042821 (Gly39Glu) polymorphism
Abstract of the Poster presented at the 3rd ESPT Conference (European Society of Pharmacogenomics and Personalised Therapy / European Society of Pharmacogenomics and Theranostics), 7-9 October 2015, Budapest
Children with mixed developmental language disorder have more insecure patterns of attachment.
Developmental Language disorders (DLD) are developmental disorders that can affect both expressive and receptive language. When severe and persistent, they are often associated with psychiatric comorbidities and poor social outcome. The development of language involves early parent-infant interactions. The quality of these interactions is reflected in the quality of the child's attachment patterns. We hypothesized that children with DLD are at greater risk of insecure attachment, making them more vulnerable to psychiatric comorbidities. Therefore, we investigated the patterns of attachment of children with expressive and mixed expressive- receptive DLD.
Forty-six participants, from 4 years 6 months to 7 years 5 months old, 12 with expressive Specific Language Impairment (DLD), and 35 with mixed DLD, were recruited through our learning disorder clinic, and compared to 23 normally developing children aged 3 years and a half. The quality of attachment was measured using the Attachment Stories Completion Task (ASCT) developed by Bretherton.
Children with developmental mixed language disorders were significantly less secure and more disorganized than normally developing children.
Investigating the quality of attachment in children with DLD in the early stages could be important to adapt therapeutic strategies and to improve their social and psychiatric outcomes later in life
Auger resonant-Raman decay after Xe L-edge photoexcitation
We have investigated resonant Auger decay of xenon following photoexcitation
of each of the three L edges under resonant-Raman conditions, which allowed us
to characterize several higher Rydberg transitions. Relative intensities for
spectator final states reached after L1−, L2−, and L3-edge excitations are
studied in detail. Thanks to state-of-the-art experimental arrangements, our
results not only reproduce the previously calculated 3d−25d and nd(n>5) state
cross sections after L3 excitation, but also allow extracting the 3d−26d
spectator state energy position and revealing its resonant behavior, blurred
by the insufficient experimental resolution in previous data sets. The 3d−26p
and 3d−27p states reached after L1 excitation as well as the 3d−25d and 3d−26d
states reached after L2 excitation are also investigated and their relative
intensities are reported and compared to ab initio Dirac-Hartree-Fock
configuration-interaction calculations. We found the signature of electronic-
state-lifetime interference effects between several coherently excited
intermediate states, due to large lifetime broadening. Electron recapture
processes are also identified above all three photoionization thresholds
Pressure induced high-spin to low-spin transition in FeS evidenced by x-ray emission spectroscopy
We report the observation of the pressure-induced high-spin to low-spin
transition in FeS using new high-pressure synchrotron x-ray emission
spectroscopy techniques. The transition is evidenced by the disappearance of
the low-energy satellite in the Fe K emission spectrum of FeS. Moreover,
the phase transition is reversible and closely related to the structural phase
transition from a manganese phosphide-like phase to a monoclinic phase. The
study opens new opportunities for investigating the electronic properties of
materials under pressure.Comment: ReVTeX, 4 pages, 3 figures inserted with epsfig. minor modifications
before submission to PR
Credibility and adjustment: gold standards versus currency boards
It is often maintained that currency boards (CBs) and gold standards (GSs) are alike in that they are stringent monetary rules, the two basic features of which are high credibility of monetary authorities and the existence of automatic adjustment (non discretionary) mechanism. This article includes a comparative analysis of these two types of regimes both from the perspective of the sources and mechanisms of generating confidence and credibility, and the elements of operation of the automatic adjustment mechanism. Confidence under the GS is endogenously driven, whereas it is exogenously determined under the CB. CB is a much more asymmetric regime than GS (the adjustment is much to the detriment of peripheral countries) although asymmetry is a typical feature of any monetary regime. The lack of credibility is typical for peripheral countries and cannot be overcome completely even by “hard” monetary regimes.http://deepblue.lib.umich.edu/bitstream/2027.42/40078/3/wp692.pd
Understanding Battery Interfaces by Combined Characterization and Simulation Approaches: Challenges and Perspectives
Driven by the continuous search for improving performances, understanding the phenomena at the electrode/electrolyte interfaces has become an overriding factor for the success of sustainable and efficient battery technologies for mobile and stationary applications. Toward this goal, rapid advances have been made regarding simulations/modeling techniques and characterization approaches, including high-throughput electrochemical measurements coupled with spectroscopies. Focusing on Li-ion batteries, current developments are analyzed in the field as well as future challenges in order to gain a full description of interfacial processes across multiple length/timescales; from charge transfer to migration/diffusion properties and interphases formation, up to and including their stability over the entire battery lifetime. For such complex and interrelated phenomena, developing a unified workflow intimately combining the ensemble of these techniques will be critical to unlocking their full investigative potential. For this paradigm shift in battery design to become reality, it necessitates the implementation of research standards and protocols, underlining the importance of a concerted approach across the community. With this in mind, major collaborative initiatives gathering complementary strengths and skills will be fundamental if societal and environmental imperatives in this domain are to be met
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