1,593 research outputs found
Core-Level X-Ray Photoemission Satellites in Ruthenates: A New Mechanism Revealing the Mott Transition
Ru 3d core-level x-ray photoemission spectra of various ruthenates are
examined. They show in general two-peak structures, which can be assigned as
the screened and unscreened peaks. The screened peak is absent in a Mott
insulator, but develops into a main peak in the metallic regime. This spectral
behavior is well explained by the dynamical mean-field theory calculation for
the single-band Hubbard model with on-site core-hole potential using the exact
diagonalization method. The new mechanism of the core-level photoemission
satellite can be utilized to reveal the Mott transition phenomenon in various
strongly correlated electron systems, especially in nano-scale devices and
phase-separated materials.Comment: 4 pages, 5 figures, submitted to PR
Electronic Structure and Phase Transition in V2O3: Importance of 3d Spin-Orbit Interaction and Lattice Distortion
The 3d electronic structure and phase transition in pure and Cr doped V2O3
are theoretically investigated in relation to the 3d spin-orbit interaction and
lattice distortion. A model consisting of the nearest-neighbor V ion pair with
full degeneracy of the 3d orbitals is studied within the many-body point of
view. It is shown that each V ion with S=1 spin state has a large orbital
magnetic moment and no orbital ordering occurs in the
antiferromagnetic insulating (AFI) phase. The anomalous resonant Bragg
reflection found in the AFI phase is attributed to the magnetic ordering. In
the AFI and paramagnetic insulating (PI) phases, Jahn-Teller like lattice
instability leads to tilting of the V ion pairs from the corundum c-axis and
this causes large difference in the orbital occupation between the paramagnetic
metal and the insulating phases, which is consistent with linear dichroic V 2p
XAS measurements.
To understand the AFI to PI transition, a model spin Hamiltonian is also
proposed. The transition is found to be simultaneous order-disorder transition
of the magnetic moments and tilting directions of the V ion pairs. Softening of
elastic constant C44 and abrupt change in short range spin correlations
observed at the transition are also explained.Comment: 18 pages, 16 figure
Band Calculations for Ce Compounds with AuCu-type Crystal Structure on the basis of Dynamical Mean Field Theory I. CePd and CeRh
Band calculations for Ce compounds with the AuCu-type crystal structure
were carried out on the basis of dynamical mean field theory (DMFT). The
auxiliary impurity problem was solved by a method named NCAvc
(noncrossing approximation including the state as a vertex correction).
The calculations take into account the crystal-field splitting, the spin-orbit
interaction, and the correct exchange process of the virtual excitation. These are necessary features in the
quantitative band theory for Ce compounds and in the calculation of their
excitation spectra. The results of applying the calculation to CePd and
CeRh are presented as the first in a series of papers. The experimental
results of the photoemission spectrum (PES), the inverse PES, the
angle-resolved PES, and the magnetic excitation spectra were reasonably
reproduced by the first-principles DMFT band calculation. At low temperatures,
the Fermi surface (FS) structure of CePd is similar to that of the band
obtained by the local density approximation. It gradually changes into a form
that is similar to the FS of LaPd as the temperature increases, since the
band shifts to the high-energy side and the lifetime broadening becomes
large.}Comment: 12 pasges, 13 figure
Direct Neutron Capture for Magic-Shell Nuclei
In neutron capture for magic--shell nuclei the direct reaction mechanism can
be important and may even dominate. As an example we investigated the reaction
Ca(n,Ca for projectile energies below 250\,keV in a direct
capture model using the folding procedure for optical and bound state
potentials. The obtained theoretical cross sections are in agreement with the
experimental data showing the dominance of the direct reaction mechanism in
this case. The above method was also used to calculate the cross section for
Ca(n,Ca.Comment: REVTeX, 7 pages plus 3 uuencoded figures, the complete uuencoded
postscript file is available at ftp://is1.kph.tuwien.ac.at/pub/ohu/calcium.u
Anti–USAG-1 therapy for tooth regeneration through enhanced BMP signaling
先天性無歯症に対する分子標的薬の開発 --USAG-1を標的分子とした歯再生治療--. 京都大学プレスリリース. 2021-02-15.Uterine sensitization–associated gene-1 (USAG-1) deficiency leads to enhanced bone morphogenetic protein (BMP) signaling, leading to supernumerary teeth formation. Furthermore, antibodies interfering with binding of USAG-1 to BMP, but not lipoprotein receptor–related protein 5/6 (LRP5/6), accelerate tooth development. Since USAG-1 inhibits Wnt and BMP signals, the essential factors for tooth development, via direct binding to BMP and Wnt coreceptor LRP5/6, we hypothesized that USAG-1 plays key regulatory roles in suppressing tooth development. However, the involvement of USAG-1 in various types of congenital tooth agenesis remains unknown. Here, we show that blocking USAG-1 function through USAG-1 knockout or anti–USAG-1 antibody administration relieves congenital tooth agenesis caused by various genetic abnormalities in mice. Our results demonstrate that USAG-1 controls the number of teeth by inhibiting development of potential tooth germs in wild-type or mutant mice missing teeth. Anti–USAG-1 antibody administration is, therefore, a promising approach for tooth regeneration therapy
Elastic Scattering by Deterministic and Random Fractals: Self-Affinity of the Diffraction Spectrum
The diffraction spectrum of coherent waves scattered from fractal supports is
calculated exactly. The fractals considered are of the class generated
iteratively by successive dilations and translations, and include
generalizations of the Cantor set and Sierpinski carpet as special cases. Also
randomized versions of these fractals are treated. The general result is that
the diffraction intensities obey a strict recursion relation, and become
self-affine in the limit of large iteration number, with a self-affinity
exponent related directly to the fractal dimension of the scattering object.
Applications include neutron scattering, x-rays, optical diffraction, magnetic
resonance imaging, electron diffraction, and He scattering, which all display
the same universal scaling.Comment: 20 pages, 11 figures. Phys. Rev. E, in press. More info available at
http://www.fh.huji.ac.il/~dani
X-ray absorption spectroscopy study of diluted magnetic semiconductors: Zn1-xMxSe (M = Mn, Fe, Co) and Zn1-xMnxY (Y = Se, Te)
We have investigated 3d electronic states of doped transition metals in II-VI
diluted magnetic semiconductors, Zn1-xMxSe (M = Mn, Fe, Co) and Zn1-xMnxY (Y =
Se, Te), using the transition-metal L2,3-edge X-ray absorption spectroscopy
(XAS) measurements. In order to explain the XAS spectra, we employed a
tetragonal cluster model calculation, which includes not only the full ionic
multiplet structure but also configuration interaction (CI). The results show
that CI is essential to describe the experimental spectra adequately,
indicating the strong hybridization between the transition metal 3d and the
ligand p orbitals. In the study of Zn1-xMnxY (Y = Se, Te), we also found
considerable spectral change in the Mn L2,3-edge XAS spectra for different
ligands, confirming the importance of the hybridization effects in these
materials.Comment: This paper consists of 22 pages including 4 figures. This paper is
submitted to Physical Review
Measurement of neutron capture on Ca at thermal and thermonuclear energies
At the Karlsruhe pulsed 3.75\,MV Van de Graaff accelerator the thermonuclear
Ca(n,)Ca(8.72\,min) cross section was measured by the
fast cyclic activation technique via the 3084.5\,keV -ray line of the
Ca-decay. Samples of CaCO enriched in Ca by 77.87\,\% were
irradiated between two gold foils which served as capture standards. The
capture cross-section was measured at the neutron energies 25, 151, 176, and
218\,keV, respectively. Additionally, the thermal capture cross-section was
measured at the reactor BR1 in Mol, Belgium, via the prompt and decay
-ray lines using the same target material. The
Ca(n,)Ca cross-section in the thermonuclear and thermal
energy range has been calculated using the direct-capture model combined with
folding potentials. The potential strengths are adjusted to the scattering
length and the binding energies of the final states in Ca. The small
coherent elastic cross section of Ca+n is explained through the nuclear
Ramsauer effect. Spectroscopic factors of Ca have been extracted from
the thermal capture cross-section with better accuracy than from a recent (d,p)
experiment. Within the uncertainties both results are in agreement. The
non-resonant thermal and thermonuclear experimental data for this reaction can
be reproduced using the direct-capture model. A possible interference with a
resonant contribution is discussed. The neutron spectroscopic factors of
Ca determined from shell-model calculations are compared with the values
extracted from the experimental cross sections for Ca(d,p)Ca and
Ca(n,)Ca.Comment: 15 pages (uses Revtex), 7 postscript figures (uses psfig), accepted
for publication in PRC, uuencoded tex-files and postscript-files also
available at ftp://is1.kph.tuwien.ac.at/pub/ohu/Ca.u
Spatial distribution of photoelectrons participating in formation of x-ray absorption spectra
Interpretation of x-ray absorption near-edge structure (XANES) experiments is
often done via analyzing the role of particular atoms in the formation of
specific peaks in the calculated spectrum. Typically, this is achieved by
calculating the spectrum for a series of trial structures where various atoms
are moved and/or removed. A more quantitative approach is presented here, based
on comparing the probabilities that a XANES photoelectron of a given energy can
be found near particular atoms. Such a photoelectron probability density can be
consistently defined as a sum over squares of wave functions which describe
participating photoelectron diffraction processes, weighted by their normalized
cross sections. A fine structure in the energy dependence of these
probabilities can be extracted and compared to XANES spectrum. As an
illustration of this novel technique, we analyze the photoelectron probability
density at the Ti K pre-edge of TiS2 and at the Ti K-edge of rutile TiO2.Comment: Journal abstract available on-line at
http://link.aps.org/abstract/PRB/v65/e20511
Electronic Structure and Valence Band Spectra of Bi4Ti3O12
The x-ray photoelectron valence band spectrum and x-ray emission valence-band
spectra (Ti K _beta_5, Ti L_alpha, O K_alpha) of Bi4Ti3O12 are presented
(analyzed in the common energy scale) and interpreted on the basis of a
band-structure calculation for an idealized I4/mmm structure of this material.Comment: 6 pages + 7 PostScript figures, RevTex3.0, to be published in
Phys.Rev.B52 (Oct.95). Figures also available via anonymous ftp at
ftp://ftp.physik.uni-osnabrueck.de/pub/apostnik/BiTiO
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