200 research outputs found
Momentum dependent light scattering in insulating cuprates
We investigate the problem of inelastic x-ray scattering in the spin
Heisenberg model on the square lattice. We first derive a momentum dependent
scattering operator for the and polarization geometries. On
the basis of a spin-wave analysis, including magnon-magnon interactions and
exact-diagonalizations, we determine the qualitative shape of the spectra. We
argue that our results may be relevant to help interpret inelastic x-ray
scattering experiments in the antiferromagnetic phase of the cuprates.Comment: 5 pages, 3 figures, to appear in PR
The Impact of an Oxygen Dopant in an ideal Bi-2212 Crystal
Recent scanning tunneling microscopy studies have shown that local nanoscale
pairing inhomogenities are correlated with interstitial oxygen dopants in
Bi-2212. Combining electrostatic and cluster calculations, in this paper the
impact of a dopant on the local Madelung and charge transfer energies, magnetic
exchange J, Zhang-Rice mobility, and interactions with the lattice is
investigated. It is found that electrostatic modifications locally increases
the charge transfer energy and slightly suppresses J. It is further shown that
coupling to c-axis phonons is strongly modified near the dopant. The combined
effects of electrostatic modifications and coupling to the lattice yield
broadened spectral features, reduced charge gap energies, and a sizable local
increase of J. This implies a strong local interplay between
antiferromagnetism, polarons, and superconducting pairing.Comment: 4 figure
Orbital degeneracy as a source of frustration in LiNiO
Motivated by the absence of cooperative Jahn-Teller effect and of magnetic
ordering in LiNiO, a layered oxide with triangular planes, we study a
general spin-orbital model on the triangular lattice. A mean-field approach
reveals the presence of several singlet phases between the SU(4) symmetric
point and a ferromagnetic phase, a conclusion supported by exact
diagonalizations of finite clusters. We argue that one of the phases,
characterized by a large number of low-lying singlets associated to dimer
coverings of the triangular lattice, could explain the properties of LiNiO,
while a ferro-orbital phase that lies nearby in parameter space leads to a new
prediction for the magnetic properties of NaNiO.Comment: 18 pages, 17 figure
Cu -edge Resonant Inelastic X-Ray Scattering in Edge-Sharing Cuprates
We present calculations for resonant inelastic x-ray scattering (RIXS) in
edge-shared copper oxide systems, such as CuGeO and LiCuO,
appropriate for hard x-ray scattering where the photoexcited electron lies
above oxygen 2p and copper 3d orbital energies. We perform exact
diagonalizations of the multi-band Hubbard and determine the energies, orbital
character and resonance profiles of excitations which can be probed via RIXS.
We find excellent agreement with recent results on LiCuO and
CuGeO in the 2-7 eV photon energy loss range.Comment: Updated with new data, expanded 9 pages, 9 figure
Spin configurations in hard-soft coupled bilayer systems: from rigid magnet to exchange spring transitions
We investigate equilibrium properties of an exchange-spring magnetic system
constituted of a soft layer (e.g. Fe) of a given thickness on top of a hard
magnetic layer (e.g. FePt). The magnetization profile M(z) as a function of the
atomic position ranging from the bottom of the hard layer to the top of the
soft layer is obtained in two cases with regard to the hard layer: i) in the
case of a rigid interface (the FePt layer is a single layer), the profile is
obtained analytically as the exact solution of a sine-Gordon equation with
Cauchy's boundary conditions. Additional numerical simulations also confirm
this result. Asymptotic expressions of M(z) show a linear behavior near the
bottom and the top of the soft layer. In addition, a critical value of the
number of atomic planes in the soft layer, that is necessary for the onset of
spin deviations, is obtained in terms of the anisotropy and exchange coupling
between the adjacent plane in the soft layer. ii) in the case of a relaxed
interface (the FePt layer is a multilayer), the magnetization profile is
obtained numerically for various Fe and FePt films thicknesses and applied
field.Comment: 10 pages, 9 figures, PRB submitted (12-07-2010
Unraveling the Nature of Charge Excitations in LaCuO with Momentum-Resolved Cu -edge Resonant Inelastic X-ray Scattering
Results of model calculations using exact diagonalization reveal the orbital
character of states associated with different Raman loss peaks in Cu -edge
resonant inelastic X-ray scattering (RIXS) from LaCuO. The model
includes electronic orbitals necessary to highlight non-local Zhang-Rice
singlet, charge transfer and - excitations, as well as states with apical
oxygen 2 character. The dispersion of these excitations is discussed with
prospects for resonant final state wave-function mapping. A good agreement with
experiments emphasizes the substantial multi-orbital character of RIXS profiles
in the energy transfer range 1-6 eV.Comment: Original: 4.5 pages. Replaced: 4 pages and 4 figures with updated
content and reference
ORB5: a global electromagnetic gyrokinetic code using the PIC approach in toroidal geometry
This paper presents the current state of the global gyrokinetic code ORB5 as
an update of the previous reference [Jolliet et al., Comp. Phys. Commun. 177
409 (2007)]. The ORB5 code solves the electromagnetic Vlasov-Maxwell system of
equations using a PIC scheme and also includes collisions and strong flows. The
code assumes multiple gyrokinetic ion species at all wavelengths for the
polarization density and drift-kinetic electrons. Variants of the physical
model can be selected for electrons such as assuming an adiabatic response or a
``hybrid'' model in which passing electrons are assumed adiabatic and trapped
electrons are drift-kinetic. A Fourier filter as well as various control
variates and noise reduction techniques enable simulations with good
signal-to-noise ratios at a limited numerical cost. They are completed with
different momentum and zonal flow-conserving heat sources allowing for
temperature-gradient and flux-driven simulations. The code, which runs on both
CPUs and GPUs, is well benchmarked against other similar codes and analytical
predictions, and shows good scalability up to thousands of nodes
- …