13,013 research outputs found
Electronic structure study of double perovskites FeReO (A=Ba,Sr,Ca) and SrMoO (M=Cr,Mn,Fe,Co) by LSDA and LSDA+U
We have implemented a systematic LSDA and LSDA+U study of the double
perovskites FeReO (A=Ba,Sr,Ca) and SrMoO
(M=Cr,Mn,Fe,Co) for understanding of their intriguing electronic and magnetic
properties. The results suggest a ferrimagnetic (FiM) and half-metallic (HM)
state of FeReO (A=Ba,Sr) due to a pdd- coupling between the
down-spin Re/Fe orbitals via the intermediate O
ones, also a very similar FiM and HM state of SrFeMoO.
In contrast, a decreasing Fe component at Fermi level () in the
distorted CaFeReO partly accounts for its nonmetallic behavior,
while a finite - coupling between the down-spin
Re/Fe orbitals being present at serves to
stabilize its FiM state. For SrCrMoO compared with
SrFeMoO, the coupling between the down-spin Mo/Cr
orbitals decreases as a noticeable shift up of the Cr 3d
levels, which is likely responsible for the decreasing value and weak
conductivity. Moreover, the calculated level distributions indicate a
Mn(Co)/Mo ionic state in SrMnMoO
(SrCoMoO), in terms of which their antiferromagnetic insulating
ground state can be interpreted. While orbital population analyses show that
owing to strong intrinsic pd covalence effects, SrMoO
(M=Cr,Mn,Fe,Co) have nearly the same valence state combinations, as accounts
for the similar M-independent spectral features observed in them.Comment: 21 pages, 3 figures. to be published in Phys. Rev. B on 15th Se
Coexistence of Ferroelectric Triclinic Phases and Origin of Large Piezoelectric Responses in Highly Strained BiFeO3 films
The structural evolution of the strain-driven morphotropic phase boundary
(MPB) in BiFeO3 films has been investigated using synchrotron x-ray
diffractometry in conjunction with scanning probe microscopy. Our results
demonstrate the existence of mixed-phase regions that are mainly made up of two
heavily tilted ferroelectric triclinic phases. Analysis of first-principles
computations suggests that these two triclinic phases originate from a phase
separation of a single monoclinic state accompanied by elastic matching between
the phase-separated states. These first-principle calculations further reveal
that the intrinsic piezoelectric response of these two low-symmetry triclinic
phases is not significantly large, which thus implies that the ease of phase
transition between these two energetically close triclinic phases is likely
responsible for the large piezoelectric response found in the BiFeO3 films near
its MPB. These findings not only enrich the understandings of the lattice and
domain structure of epitaxial BiFeO3 films but may also shed some light on the
origin of enhanced piezoelectric response near MPB.Comment: 19 pages, 3 figures and 1 tabl
Spin-Polarized Transport Across an LaSrMnO/YBaCuO Interface: Role of Andreev Bound States
Transport across an
LaSr_{3}/YBa_{3}_{7}_{3}$/YBCO and Ag/YBCO. In all cases, YBCO is used as bottom layer to
eliminate the channel resistance and to minimize thermal effects. The observed
differential conductance re ects the role of Andreev bound states in a-b
planes, and brings out for the first time the suppression of such states by the
spin-polarized transport across the interface. The theoretical analysis of the
measured data reveals decay of the spin polarization near the LSMO surface with
temperature, consistent with the reported photoemission data.Comment: 5 pages LaTeX, 3 eps figures included, accepted by Physical Review
Optical studies of gap, hopping energies and the Anderson-Hubbard parameter in the zigzag-chain compound SrCuO2
We have investigated the electronic structure of the zigzag ladder (chain)
compound SrCuO2 combining polarized optical absorption, reflection,
photoreflectance and pseudo-dielectric function measurements with the model
calculations. These measurements yield an energy gap of 1.42 eV (1.77 eV) at
300 K along (perpendicular) to the Cu-O chains. We have found that the lowest
energy gap, the correlation gap, is temperature independent. The electronic
structure of this oxide is calculated using both the
local-spin-density-approximation with gradient correction method, and the
tight-binding theory for the correlated electrons. The calculated density of
electronic states for non-correlated and correlated electrons shows
quasi-one-dimensional character. The correlation gap values of 1.42 eV
(indirect transition) and 1.88 eV (direct transition) have been calculated with
the electron hopping parameters t = 0.30 eV (along a chain), t_yz = 0.12 eV
(between chains) and the Anderson-Hubbard repulsion on copper sites U= 2.0 eV.
We concluded that SrCuO_2 belongs to the correlated-gap insulators.Comment: 24 pages, 8 figures, to be published in Phys.Rev.
Radiographic Findings and Association With Clinical Severity and Outcomes in Critically Ill Patients With COVID-19
PURPOSE: To describe evolution and severity of radiographic findings and assess association with disease severity and outcomes in critically ill COVID-19 patients.
MATERIALS AND METHODS: This retrospective study included 62 COVID-19 patients admitted to the intensive care unit (ICU). Clinical data was obtained from electronic medical records. A total of 270 chest radiographs were reviewed and qualitatively scored (CXR score) using a severity scale of 0-30. Radiographic findings were correlated with clinical severity and outcome.
RESULTS: The CXR score increases from a median initial score of 10 at hospital presentation to the median peak CXR score of 18 within a median time of 4 days after hospitalization, and then slowly decreases to a median last CXR score of 15 in a median time of 12 days after hospitalization. The initial and peak CXR score was independently associated with invasive MV after adjusting for age, gender, body mass index, smoking, and comorbidities (Initial, odds ratio [OR]: 2.11 per 5-point increase, confidence interval [CI] 1.35-3.32, P= 0.001; Peak, OR: 2.50 per 5-point increase, CI 1.48-4.22, P= 0.001). Peak CXR scores were also independently associated with vasopressor usage (OR: 2.28 per 5-point increase, CI 1.30-3.98, P= 0.004). Peak CXR scores strongly correlated with the duration of invasive MV (Rho = 0.62, P\u3c 0.001), while the initial CXR score (Rho = 0.26) and the peak CXR score (Rho = 0.27) correlated weakly with the sequential organ failure assessment score. No statistically significant associations were found between radiographic findings and mortality.
CONCLUSIONS: Evolution of radiographic features indicates rapid disease progression and correlate with requirement for invasive MV or vasopressors but not mortality, which suggests potential nonpulmonary pathways to death in COVID-19
Reconstructing the properties of dark energy from recent observations
We explore the properties of dark energy from recent observational data,
including the Gold Sne Ia, the baryonic acoustic oscillation peak from SDSS,
the CMB shift parameter from WMAP3, the X-ray gas mass fraction in cluster and
the Hubble parameter versus redshift. The model with curvature
and two parameterized dark energy models are studied. For the
model, we find that the flat universe is consistent with observations at the
confidence level and a closed universe is slightly favored by these
data. For two parameterized dark energy models, with the prior given on the
present matter density, , with ,
and , our result seems to suggest that the
trend of dependence for an evolving dark energy from a
combination of the observational data sets is model-dependent.Comment: 16 pages, 15 figures, To appear in JCA
Two band gap field-dependent thermal conductivity of
The thermal conductivity of the new superconductor was
studied as a function of the temperature and a magnetic field. No anomaly in
the thermal conductivity is observed around the superconducting
transition in absence or presence of magnetic fields up to 14 Tesla; upon that
field the superconductivity of persisted. The thermal conductivity in
zero-field shows a -linear increase up to 50K. The thermal conductivity is
found to increase with increasing field at high fields. We interpret the
findings as if there are two subsystems of quasiparticles with different
field-dependent characters in a two ( and )-band superconductor reacting
differently with the vortex structure. The unusual enhancement of at low temperature but higher than a () critical field
is interpreted as a result of the overlap of the low energy states outside the
vortex cores in the -band.Comment: 6 pages,3 figure
Steps Toward Determination of the Size and Structure of the Broad-Line Region in Active Galactic Nuclei. XV. Long-Term Optical Monitoring of NGC 5548
We present the results of three years of ground-based observations of the
Seyfert 1 galaxy NGC 5548, which combined with previously reported data, yield
optical continuum and broad-line H-beta light curves for a total of eight
years. The light curves consist of over 800 points, with a typical spacing of a
few days between observations. During this eight-year period, the nuclear
continuum has varied by more than a factor of seven, and the H-beta emission
line has varied by a factor of nearly six. The H-beta emission line responds to
continuum variations with a time delay or lag of 10-20 days, the precise value
varying somewhat from year to year. We find some indications that the lag
varies with continuum flux in the sense that the lag is larger when the source
is brighter.Comment: 29 pages, 6 figures. Accepted for publication in ApJ (1999 Jan 10
Restoring New Agegraphic Dark Energy in RS II Braneworld
Motivated by recent works [1,2], we investigate new agegraphic model of dark
energy in the framework of RS II braneworld. We also include the case of
variable gravitational constant in our model. Furthermore, we establish
correspondence between the new agegraphic dark energy with other dark energy
candidates based on scalar fields.Comment: 13 pages, accepted for publication in IJT
Using bond-length dependent transferable force constants to predict vibrational entropies in Au-Cu, Au-Pd, and Cu-Pd alloys
A model is tested to rapidly evaluate the vibrational properties of alloys
with site disorder. It is shown that length-dependent transferable force
constants exist, and can be used to accurately predict the vibrational entropy
of substitutionally ordered and disordered structures in Au-Cu, Au-Pd, and
Cu-Pd. For each relevant force constant, a length- dependent function is
determined and fitted to force constants obtained from first-principles
pseudopotential calculations. We show that these transferable force constants
can accurately predict vibrational entropies of L1-ordered and disordered
phases in CuAu, AuPd, PdAu, CuPd, and PdAu. In
addition, we calculate the vibrational entropy difference between
L1-ordered and disordered phases of AuCu and CuPt.Comment: 9 pages, 6 figures, 3 table
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