4,870 research outputs found
Screened hybrid functional applied to 3d^0-->3d^8 transition-metal perovskites LaMO3 (M=Sc-Cu): influence of the exchange mixing parameter on the structural, electronic and magnetic properties
We assess the performance of the Heyd-Scuseria-Ernzerhof (HSE) screened
hybrid density functional scheme applied to the perovskite family LaMO3
(M=Sc-Cu) and discuss the role of the mixing parameter alpha (which determines
the fraction of exact Hartree-Fock exchange included in the density functional
theory (DFT) exchange-correlation functional) on the structural, electronic,
and magnetic properties. The physical complexity of this class of compounds,
manifested by the largely varying electronic characters
(band/Mott-Hubbard/charge-transfer insulators and metals), magnetic orderings,
structural distortions (cooperative Jahn-Teller like instabilities), as well as
by the strong competition between localization/delocalization effects
associated with the gradual filling of the t_2g and e_g orbitals, symbolize a
critical and challenging case for theory. Our results indicates that HSE is
able to provide a consistent picture of the complex physical scenario
encountered across the LaMO3 series and significantly improve the standard DFT
description. The only exceptions are the correlated paramagnetic metals LaNiO3
and LaCuO3, which are found to be treated better within DFT. By fitting the
ground state properties with respect to alpha we have constructed a set of
'optimum' values of alpha from LaScO3 to LaCuO3: it is found that the 'optimum'
mixing parameter decreases with increasing filling of the d manifold (LaScO3:
0.25; LaTiO3 & LaVO3: 0.10-0.15; LaCrO3, LaMnO3, and LaFeO3: 0.15; LaCoO3:
0.05; LaNiO3 & LaCuO3: 0). This trend can be nicely correlated with the
modulation of the screening and dielectric properties across the LaMO3 series,
thus providing a physical justification to the empirical fitting procedure.Comment: 32 pages, 29 figure
Structural and vibrational properties of two-dimensional nanolayers on Pd(100)
Using different experimental techniques combined with density functional
based theoretical methods we have explored the formation of
interface-stabilized manganese oxide structures grown on Pd(100) at
(sub)monolayer coverage. Amongst the multitude of phases experimentally
observed we focus our attention on four structures which can be classified into
two distinct regimes, characterized by different building blocks. Two
oxygen-rich phases are described in terms of MnO(111)-like O-Mn-O trilayers,
whereas the other two have a lower oxygen content and are based on a
MnO(100)-like monolayer structure. The excellent agreement between calculated
and experimental scanning tunneling microscopy images and vibrational electron
energy loss spectra allows for a detailed atomic description of the explored
models.Comment: 14 pages, 11 figure
Bifurcations of discrete breathers in a diatomic Fermi-Pasta-Ulam chain
Discrete breathers are time-periodic, spatially localized solutions of the
equations of motion for a system of classical degrees of freedom interacting on
a lattice. Such solutions are investigated for a diatomic Fermi-Pasta-Ulam
chain, i. e., a chain of alternate heavy and light masses coupled by anharmonic
forces. For hard interaction potentials, discrete breathers in this model are
known to exist either as ``optic breathers'' with frequencies above the optic
band, or as ``acoustic breathers'' with frequencies in the gap between the
acoustic and the optic band. In this paper, bifurcations between different
types of discrete breathers are found numerically, with the mass ratio m and
the breather frequency omega as bifurcation parameters. We identify a period
tripling bifurcation around optic breathers, which leads to new breather
solutions with frequencies in the gap, and a second local bifurcation around
acoustic breathers. These results provide new breather solutions of the FPU
system which interpolate between the classical acoustic and optic modes. The
two bifurcation lines originate from a particular ``corner'' in parameter space
(omega,m). As parameters lie near this corner, we prove by means of a center
manifold reduction that small amplitude solutions can be described by a
four-dimensional reversible map. This allows us to derive formally a continuum
limit differential equation which characterizes at leading order the
numerically observed bifurcations.Comment: 30 pages, 10 figure
Propagação de mirtilo do tipo Rabbiteye por estaquia e alporquia.
bitstream/item/30368/1/boletim-50.pd
Three-Dimensional Electronic Structure of type-II Weyl Semimetal WTe
By combining bulk sensitive soft-X-ray angular-resolved photoemission
spectroscopy and accurate first-principles calculations we explored the bulk
electronic properties of WTe, a candidate type-II Weyl semimetal featuring
a large non-saturating magnetoresistance. Despite the layered geometry
suggesting a two-dimensional electronic structure, we find a three-dimensional
electronic dispersion. We report an evident band dispersion in the reciprocal
direction perpendicular to the layers, implying that electrons can also travel
coherently when crossing from one layer to the other. The measured Fermi
surface is characterized by two well-separated electron and hole pockets at
either side of the point, differently from previous more surface
sensitive ARPES experiments that additionally found a significant quasiparticle
weight at the zone center. Moreover, we observe a significant sensitivity of
the bulk electronic structure of WTe around the Fermi level to electronic
correlations and renormalizations due to self-energy effects, previously
neglected in first-principles descriptions
Renyi Entropy of the XY Spin Chain
We consider the one-dimensional XY quantum spin chain in a transverse
magnetic field. We are interested in the Renyi entropy of a block of L
neighboring spins at zero temperature on an infinite lattice. The Renyi entropy
is essentially the trace of some power of the density matrix of the
block. We calculate the asymptotic for analytically in terms of
Klein's elliptic - function. We study the limiting entropy as a
function of its parameter . We show that up to the trivial addition
terms and multiplicative factors, and after a proper re-scaling, the Renyi
entropy is an automorphic function with respect to a certain subgroup of the
modular group; moreover, the subgroup depends on whether the magnetic field is
above or below its critical value. Using this fact, we derive the
transformation properties of the Renyi entropy under the map and show that the entropy becomes an elementary function of the
magnetic field and the anisotropy when is a integer power of 2, this
includes the purity . We also analyze the behavior of the entropy as
and and at the critical magnetic field and in the
isotropic limit [XX model].Comment: 28 Pages, 1 Figur
Actinomycosis of the Tongue: A Case Report and Review of Literature
Background: Actinomycosis of the tongue is an uncommon, suppurative infection of lingual mucosa, caused by actinomyces. The clinical diagnosis may present serious difficulties because of its ability to mimic other lesions, including both benign and malignant neoplasms. Methods: Here, we describe the case of a 52-years-old patient affected by an asymptomatic, tumor-like tongue swelling, then diagnosed as actinomycosis. A review of tongue localization of actinomycosis is also reported, with emphasis on clinical findings and therapy. Results and Conclusion: Early diagnosis and treatment, with pus drainage and systemic antibiotic therapy, are pivotal to avoid severe and life-threatening complications
Multi-Analytical approach reveals potential microbial indicators in soil for sugarcane model systems.
This study focused on the effects of organic and inorganic amendments and straw retention on the microbial biomass (MB) and taxonomic groups of bacteria in sugarcane-cultivated soils in a greenhouse mesocosm experiment monitored for gas emissions and chemical factors. The experiment consisted of combinations of synthetic nitrogen (N), vinasse (V; a liquid waste from ethanol production), and sugarcane-straw blankets. Increases in CO2-C and N2O-N emissions were identified shortly after the addition of both N and V to the soils, thus increasing MB nitrogen (MB-N) and decreasing MB carbon (MB-C) in the N+V- amended soils and altering soil chemical factors that were correlated with the MB. Across 57 soil metagenomic datasets, Actinobacteria (31.5%), Planctomycetes (12.3%), Deltaproteobacteria (12.3%), Alphaproteobacteria (12.0%) and Betaproteobacteria (11.1%) were the most dominant bacterial groups during the experiment. Differences in relative abun- dance of metagenomic sequences were mainly revealed for Acidobacteria, Actinobacteria, Gammaproteobacteria and Verrucomicrobia with regard to N+V fertilization and straw re- tention. Differential abundances in bacterial groups were confirmed using 16S rRNA gene- targeted phylum-specific primers for real-time PCR analysis in all soil samples, whose re- sults were in accordance with sequence data, except for Gammaproteobacteria. Actino- bacteria were more responsive to straw retention with Rubrobacterales, Bifidobacteriales and Actinomycetales related to the chemical factors of N+V-amended soils. Acidobacteria subgroup 7 and Opitutae, a verrucomicrobial class, were related to the chemical factors of soils without straw retention as a surface blanket. Taken together, the results showed that MB-C and MB-N responded to changes in soil chemical factors and CO2-C and N2O-N emissions, especially for N+V-amended soils. The results also indicated that several taxo- nomic groups of bacteria, such as Acidobacteria, Actinobacteria and Verrucomicrobia, and Competing Interests: The authors have declared that no competing interests exist. their subgroups acted as early-warning indicators of N+V amendments and straw retention in sugarcane-cultivated soils, which can alter the soil chemical factors
Eventos zoonóticos priorizados en salud pública: notificación, prevención y control en el ámbito de atención de un consultorio veterinario
En la actualidad existen más de 200 zoonosis que representan una amenaza para la salud humana y el
bienestar animal. Este escenario y la multiplicidad de factores que contribuyen a la prevalencia e incidencia
de estas enfermedades ponen de manifiesto la necesidad de priorizarlas y vigilarlas dentro de las acciones
de Salud Pública. La vigilancia es una de las tareas fundamentales de la epidemiología, ésta se realiza a
partir de diferentes estrategias y cuenta con un vasto marco normativo. En la provincia estas actividades
están a cargo de la Dirección de Jurisdicción de Epidemiología del Ministerio de Salud. El médico
veterinario dentro de su consultorio cumple un importante rol en esta estrategia, dado que ante el
diagnostico de un evento de notificación obligatoria, además de realizar lo concerniente a la atención del
paciente debe notificar el evento contribuyendo así con información para elaborar políticas públicas de
prevención y control
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