52 research outputs found
Pre-K-Edge Structure on Anomalous X-Ray Scattering in LaMnO3
We study the pre-K-edge structure of the resonant X-ray scattering for
forbidden reflections (anomalous scattering) in LaMnO3, using the band
calculation based on the local density approximation. We find a two-peak
structure with an intensity approximately 1/100 of that of the main peak. This
originates from a mixing of 4p states of Mn to 3d states of neighboring Mn
sites. The effect is enhanced by an interference with the tail of the main
peak. The effect of the quadrupole transition is found to be one order of
magnitude smaller than that of the dipole transition, modifying slightly the
azimuthal-angle dependence.Comment: 4 pages, 5 figures, submitted to J. Phys. Soc. Jp
Theory for Phase Transitions in Insulating Vanadium Oxide
We show that the recently proposed S=2 bond model with orbital degrees of
freedom for insulating VO not only explains the anomalous magnetic
ordering, but also other mysteries of the magnetic phase transition. The model
contains an additional orbital degree of freedom that exhibits a zero
temperature quantum phase transtion in the Ising universality class.Comment: 5 pages, 2 figure
Orbital Ordering Structures in (Nd,Pr)0.5Sr0.5MnO3 Manganite Thin Films on Perovskite (011) Substrates
Structural study of orbital-ordered manganite thin films has been conducted
using synchrotron radiation, and a ground state electronic phase diagram is
made. The lattice parameters of four manganite thin films, Nd0.5Sr0.5MnO3
(NSMO) or Pr0.5Sr0.5MnO3 (PSMO) on (011) surfaces of SrTiO3 (STO) or
[(LaAlO3){0.3}(SrAl0.5Ta0.5O3){0.7}] (LSAT), were measured as a function of
temperature. The result shows, as expected based on previous knowledge of bulk
materials, that the films' resistivity is closely related to their structures.
Observed superlattice reflections indicate that NSMO thin films have an
antiferro-orbital-ordered phase as their low-temperature phase while PSMO film
on LSAT has a ferro-orbital-ordered phase, and that on STO has no
orbital-ordered phase. A metallic ground state was observed only in films
having a narrow region of A-site ion radius, while larger ions favor
ferro-orbital-ordered structure and smaller ions stabilize
antiferro-orbital-ordered structure. The key to the orbital-ordering transition
in (011) film is found to be the in-plane displacement along [0-1 1] direction.Comment: 19pages, 11 figure
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
Orbitally Degenerate Spin-1 Model for Insulating V2O3
Motivated by recent neutron, X-ray absorption and resonant scattering
experiments, we revisit the electronic structure of V2O3. We propose a model in
which S=1 V3+ ions are coupled in the vertical V-V pairs forming two-fold
orbitally degenerate configurations with S=2. Ferro-orbital ordering of the V-V
pairs gives a description which is consistent with all experiments in the
antiferromagnetic insulating phase.Comment: 4 pages, including three figure
Optical Properties of Heavy Fermion Systems with SDW Order
The dynamical conductivity , reflectivity , and
tunneling density of states of strongly correlated systems (like
heavy fermions) with a spin-density wave (SDW) magnetic order are studied as a
function of impurity scattering rate and temperature. The theory is generalized
to include strong coupling effects in the SDW order. The results are discussed
in the light of optical experiments on heavy-fermion SDW materials. With some
modifications the proposed theory is applicable also to heavy fermions with
localized antiferromagnetic (LAF) order.Comment: 9 pages, 10 figure
Resonant Inelastic X-ray Scattering from Charge and Orbital Excitations in Manganites
We present a theory of the resonant inelastic x-ray scattering (RIXS) to
study electronic excitations in orbital ordered manganites. The charge and
orbital excitations of the Mn 3d electron are caused by the Coulomb
interactions in the intermediate scattering state. The scattering cross section
is formulated by the Liouville operator method where the local and itinerant
natures of the excitations are taken into account on an equal footing. As a
result, the cross section is expressed by the charge and orbital correlation
functions associated with local corrections. The RIXS spectra are calculated
numerically as functions of momentum and polarization of x ray. Through the
calculations, we propose that RIXS provides a great opportunity to study the
unique electronic excitations in correlated electron systems with orbital
degeneracy.Comment: 8 pages, 5 figure
X-ray Resonant Scattering Study of the Order Parameters in Multiferroic TbMnO
We report on an extensive investigation of the multiferroic compound
TbMnO. Non-resonant x-ray magnetic scattering (NRXMS) revealed a dominant
-type domain. The temperature dependence of the intensity and wavevector
associated with the incommensurate magnetic order was found to be in good
agreement with neutron scattering data. XRS experiments were performed in the
vicinity of the Mn and Tb edges in the high-temperature collinear
phase, the intermediate temperature cycloidal/ferroelectric phase, and the
low-temperature phase. In the collinear phase resonant satellites were
found at the Mn edge associated with -type but also -type peaks. The
azimuthal dependence of the -type satellites (and their absence in the NRXMS
experiments) indicates that they are most likely non-magnetic in origin. We
suggest instead that they may be associated with an induced charge multipole.
At the Tb edge resonant - and -type satellites () were
observed in the collinear phase. These we attribute to a polarisation of the Tb
5 states by the ordering of the Mn sublattice. In the
cycloidal/ferroelectric phase a new set of resonant satellites appear
corresponding to -type order. These appear at the Tb edge only. In
addition to a dominant component in the channel, a
weaker component is found in the pre-edge with
polarization. Calculations of the XRS were performed using the code
showing that the unrotated component of the Tb
-type peaks appearing in the ferroelectric phase contains a contribution
from a multipole that is odd with respect to both space and time, known in
various contexts as the anapole.Comment: Phys. Rev. B (In press
Two-step stabilization of orbital order and the dynamical frustration of spin in the model charge-transfer insulator KCuF3
We report a combined experimental and theoretical study of KCuF3, which
offers - because of this material's relatively simple lattice structure and
valence configuration (d9, i.e., one hole in the d-shell) - a particularly
clear view of the essential role of the orbital degree of freedom in governing
the dynamical coupling between the spin and lattice degrees of freedom. We
present Raman and x-ray scattering evidence that the phase behaviour of KCuF3
is dominated above the Neel temperature (T_N = 40 K) by coupled orbital/lattice
fluctuations that are likely associated with rotations of the CuF6 octahedra,
and we show that these orbital fluctuations are interrupted by a static
structural distortion that occurs just above T_N. A detailed model of the
orbital and magnetic phases of KCuF3 reveals that these orbital fluctuations -
and the related frustration of in-plane spin-order-are associated with the
presence of nearly degenerate low-energy spin-orbital states that are highly
susceptible to thermal fluctuations over a wide range of temperatures. A
striking implication of these results is that the ground state of KCuF3 at
ambient pressure lies near a quantum critical point associated with an
orbital/spin liquid phase that is obscured by emergent Neel ordering of the
spins; this exotic liquid phase might be accessible via pressure studies.Comment: 13 pages, 3 figure
- …