3,753 research outputs found
On the mechanism for orbital-ordering in KCuF3
The Mott insulating perovskite KCuF3 is considered the archetype of an
orbitally-ordered system. By using the LDA+dynamical mean-field theory (DMFT)
method, we investigate the mechanism for orbital-ordering (OO) in this
material. We show that the purely electronic Kugel-Khomskii super-exchange
mechanism (KK) alone leads to a remarkably large transition temperature of T_KK
about 350 K. However, orbital-order is experimentally believed to persist to at
least 800 K. Thus Jahn-Teller distortions are essential for stabilizing
orbital-order at such high temperatures.Comment: 4 pages, 5 figure
Photoemission study of the metal-insulator transition in VO_2/TiO_2(001) : Evidence for strong electron-electron and electron-phonon interaction
We have made a detailed temperature-dependent photoemission study of
VO_2/TiO_2(001) thin films, which show a metal-insulator transition at \sim 300
K. Clean surfaces were obtained by annealing the films in an oxygen atmosphere.
Spectral weight transfer between the coherent and incoherent parts accompanying
the metal-insulator transition was clearly observed. We also observed a
hysteretic behavior of the spectra for heating-cooling cycles. We have derived
the ``bulk'' spectrum of the metallic phase and found that it has a strong
incoherent part. The width of the coherent part is comparable to that given by
band-structure calculation in spite of its reduced spectral weight, indicating
that the momentum dependence of the self-energy is significant. This is
attributed to by ferromagnetic fluctuation arising from Hund's rule coupling
between different d orbitals as originally proposed by Zylbersztejn and Mott.
In the insulating phase, the width of the V 3d band shows strong temperature
dependence. We attribute this to electron-phonon interaction and have
reproduced it using the independent boson model with a very large coupling
constant.Comment: 7 pages, 7 figures, submitted to Phys. Rev.
Orbital Ordering in Paramagnetic LaMnO3 and KCuF3
{\it Ab-initio} studies of the stability of orbital ordering, its coupling to
magnetic structure and its possible origins (electron-phonon and/or
electron-electron interactions) are reported for two perovskite systems,
LaMnO and KCuF. We present a new Average Spin State (ASS) calculational
scheme that allowed us to treat a paramagnetic state. Using this scheme, we
succesfully described the experimental magnetic/orbital phase diagram of both
LaMnO and KCuF in crystal structures when the Jahn-Teller distortions
are neglected. Hence, we conclude that the orbital ordering in both compounds
is purely electronic in origin.Comment: 10 pages, 5 figure
Proximity to Fermi-surface topological change in superconducting LaO0.54F0.46BiS2
The electronic structure of nearly optimally-doped novel superconductor
LaOFBiS ( = 0.46) was investigated using
angle-resolved photoemission spectroscopy (ARPES). We clearly observed band
dispersions from 2 to 6 eV binding energy and near the Fermi level (), which are well reproduced by first principles calculations when
the spin-orbit coupling is taken into account. The ARPES intensity map near
shows a square-like distribution around the (Z) point
in addition to electronlike Fermi surface (FS) sheets around the X(R) point,
indicating that FS of LaOFBiS is in close proximity to
the theoretically-predicted topological change.Comment: 6 pages, 3 figures, + supplemental materia
Magnetic properties of the distorted diamond chain at T=0
We explore, at T=0, the magnetic properties of the antiferromagnetic
distorted diamond chain described by the Hamiltonian {\cal H}
= \sum_{j=1}^{N/3}{J_1 ({\bi S}_{3j-1} \cdot {\bi S}_{3j}
+ {\bi S}_{3j} \cdot {\bi S}_{3j+1})
+ J_2 {\bi S}_{3j+1} \cdot {\bi S}_{3j+2}
+ J_3 ({\bi S}_{3j-2} \cdot {\bi S}_{3j}
+ {\bi S}_{3j} \cdot {\bi S}_{3j+2})}
\allowbreak - H \sum_{l=1}^{N} S_l^z with , which well
models with , and azurite . We employ the physical
consideration, the degenerate perturbation theory, the level spectroscopy
analysis of the numerical diagonalization data obtained by the Lanczos method
and also the density matrix renormalization group (DMRG) method. We investigate
the mechanisms of the magnetization plateaux at and , and
also show the precise phase diagrams on the plane
concerning with these magnetization plateaux, where
and is the saturation magnetization. We also calculate the magnetization
curves and the magnetization phase diagrams by means of the DMRG method.Comment: 21 pages, 29 figure
Optical evidence for symmetry changes above the Neel temperature in KCuF3
We report on optical measurements of the 1D Heisenberg antiferromagnet KCuF3.
The crystal-field excitations of the Cu2+ ions have been observed and their
temperature dependence can be understood in terms of magnetic and
exchange-induced dipole mechanisms and vibronic interactions. Above T_N we
observe a new temperature scale T_S characterized by the emergence of narrow
absorption features that correlate with changes of the orbital ordering as
observed by Paolasini et al. [Phys. Rev. Lett. 88, 106403 (2002)]. The
appearance of these optical transitions provides evidence for a symmetry change
above the Neel temperature that affects the orbital ordering and paves the way
for the antiferromagnetic ordering.Comment: 4 pages, 2 figure
Frustration phenomena in Josephson point contacts between single-band and three-band superconductors
Within the formalism of Usadel equations the Josephson effect in dirty point
contacts between single-band and three-band superconductors is investigated.
The general expression for the Josephson current, which is valid for arbitrary
temperatures, is obtained. We calculate current-phase relations for very low
temperature and in the vicinity of the critical temperature. For three-band
superconductors with broken time-reversal symmetry (BTRS) point contacts
undergo frustration phenomena with different current-phase relations,
corresponding to {\phi}-contacts. For three-band superconductors without BTRS
we have close to sinusoidal current-phase relations and absence of the
frustration, excepting the case of very low temperature, where under certain
conditions two ground states of the point contact are realized. Our results can
be used as the potential probe for the detection of the possible BTRS state in
three-band superconducting systems.Comment: 14 pages, 7 figure
Hole-doping-induced changes in the electronic structure of LaSrFeO : soft x-ray photoemission and absorption study of epitaxial thin films
We have studied the electronic structure of epitaxially grown thin films of
LaSrFeO by {\it in-situ} photoemission spectroscopy (PES) and
x-ray absorption spectroscopy (XAS) measurements. The Fe 2 and valence-band
PES spectra and the O XAS spectra of LaFeO have been successfully
reproduced by configuration-interaction cluster-model calculation and, except
for the satellite structure, by band-structure calculation.From the shift of
the binding energies of core levels, the chemical potential was found to be
shifted downward as was increased. Among the three peaks in the
valence-band spectra of LaSrFeO, the peak nearest to the Fermi
level (), due to the `` band'', was found to move toward and
became weaker as was increased, whereas the intensity of the peak just
above in the O XAS spectra increased with . The gap or pseudogap
at was seen for all values of . These results indicate that changes in
the spectral line shape around are dominated by spectral weight transfer
from below to above across the gap and are therefore highly
non-rigid-band-like.Comment: 8 pages, 7 figure
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