93 research outputs found
Magnetic properties of NaV2O5, a one-dimensional spin 1/2 antiferromagnet with finite chains
We have performed measurements of the magnetic susceptibility of NaVO
between 2 and 400 K. The high temperature part is typical of spin 1/2 chains
with a nearest--neighbour antiferromagnetic exchange integral of 529 K. We
develop a model for the susceptibility of a system with finite chains to
account for the low temperature part of the data, which cannot be fitted by a
standard Curie-Weiss term. These results suggest that the next
nearest--neighbour exchange integral in CaVO should be of the
order of 500 K because, like in NaVO, it corresponds to corner
sharing VO square pyramids.Comment: An early version of the manuscript was mistakenly submitted. Although
relatively minor, the changes concern the list of authors, the main text, the
references and the figure captions. 10 pages of latex, 2 figure
Coexistence of charge density wave and spin-Peierls orders in quarter-filled quasi-one dimensional correlated electron systems
Charge and spin-Peierls instabilities in quarter-filled (n=1/2) compounds
consisting of coupled ladders and/or zig-zag chains are investigated. Hubbard
and t-J models including local Holstein and/or Peierls couplings to the lattice
are studied by numerical techniques. Next nearest neighbor hopping and magnetic
exchange, and short-range Coulomb interactions are also considered. We show
that, generically, these systems undergo instabilities towards the formation of
Charge Density Waves, Bond Order Waves and (generalized) spin-Peierls modulated
structures. Moderate electron-electron and electron-lattice couplings can lead
to a coexistence of these three types of orders. In the ladder, a zig-zag
pattern is stabilized by the Holstein coupling and the nearest-neighbor Coulomb
repulsion. In the case of an isolated chain, bond-centered and site-centered
2k_F and 4k_F modulations are induced by the local Holstein coupling. In
addition, we show that, in contrast to the ladders, a small charge ordering in
the chains, strongly enhances the spin-Peierls instability. Our results are
applied to the NaV_2O_5 compound (trellis lattice) and various phases with
coexisting charge disproportionation and spin-Peierls order are proposed and
discussed in the context of recent experiments. The role of the long-range
Coulomb potential is also outlined.Comment: 10 pages, Revtex, 10 encapsulated figure
Ab initio evaluation of the charge-ordering in
We report {\it ab initio} calculations of the charge ordering in
using large configurations interaction methods on
embedded fragments. Our major result is that the electrons of the
bridging oxygen of the rungs present a very strong magnetic character and
should thus be explicitly considered in any relevant effective model. The most
striking consequence of this result is that the spin and charge ordering differ
substantially, as differ the experimental results depending on whether they are
sensitive to the spin or charge density.Comment: 4 page
NaV_2O_5 as a quarter-filled ladder compound
A new X-ray diffraction study of the one-dimensional spin-Peierls compound
\alpha-NaV_2O_5 reveals a centrosymmetric (Pmmn) crystal structure with one
type of V site, contrary to the previously postulated non-centrosymmetric
P2_1mn structure with two types of V sites (V^{+4} and V^{+5}). Density
functional calculations indicate that NaV_2O_5 is a quarter-filled ladder
compound with the spins carried by V-O-V molecular orbitals on the rungs of the
ladder. Estimates of the charge-transfer gap and the exchange coupling agree
well with experiment and explain the insulating behavior of NaV_2O_5 and its
magnetic properties.Comment: Final version for PRL, value of U correcte
High frequency dielectric and magnetic anomaly at the phase transition in NaV2O5
We found anomalies in the temperature dependence of the dielectric and the
magnetic susceptibiliy of NaV_2O_5 in the microwave and far infrared frequency
ranges. The anomalies occur at the phase transition temperature T_c, at which
the spin gap opens. The real parts of the dielectric constants epsilon_a and
epsilon_c decrease below T_c. The decrease of epsilon_a (except for the narrow
region close to T_c) is proportional to the intensity of the x-ray reflection
appearing at T_c. The dielectric constant anomaly can be explained by the
zigzag charge ordering in the ab-plane appearing below T_c. The anomaly of the
microwave magnetic losses is probably related to the coupling between the spin
and charge degrees of freedom in vanadium ladders.Comment: 3 PS-figures, LATEX-text, new experimental data added, typos
correcte
Charge Order Driven spin-Peierls Transition in NaV2O5
We conclude from 23Na and 51V NMR measurements in NaxV2O5(x=0.996) a charge
ordering transition starting at T=37 K and preceding the lattice distortion and
the formation of a spin gap Delta=106 K at Tc=34.7 K. Above Tc, only a single
Na site is observed in agreement with the Pmmn space group of this first
1/4-filled ladder system. Below Tc=34.7 K, this line evolves into eight
distinct 23Na quadrupolar split lines, which evidences a lattice distortion
with, at least, a doubling of the unit cell in the (a,b) plane. A model for
this unique transition implying both charge density wave and spin-Peierls order
is discussed.Comment: 4 pages, 3 figures, submitted to Phys. Rev. Let
Dynamical properties of the spin-Peierls compound \alpha'--NaV2O5
Dynamical properties of the novel inorganic spin-Peierls compound
\alpha'--NaV2O5 are investigated using a one-dimensional dimerized Heisenberg
model. By exact diagonalizations of chains with up to 28 sites, supplemented by
a finite-size scaling analysis, the dimerization parameter \delta is determined
by requiring that the model reproduces the experimentally observed spin gap
\Delta. The dynamical and static spin structure factors are calculated. As for
CuGeO3, the existence of a low energy magnon branch separated from the
continuum is predicted. The present calculations also suggest that a large
magnetic Raman scattering intensity should appear above an energy threshold of
1.9 \Delta. The predicted photoemission spectrum is qualitatively similar to
results for an undimerized chain due to the presence of sizable short-range
antiferromagnetic correlations.Comment: 4 pages, latex, minor misprints corrected and a few references adde
One-dimensional dynamics of the d-electrons in -NaVO
We have studied the electronic properties of the ladder compound
-NaVO, adopting a joint experimental and theoretical
approach. The momentum-dependent loss function was measured using electron
energy-loss spectroscopy in transmission. The optical conductivity derived from
the loss function by a Kramers-Kronig analysis agrees well with our results
from LSDA+U band-structure calculations upon application of an
antiferromagnetic alignment of the V~3 spins along the legs and an
on-site Coulomb interaction U of between 2 and 3 eV. The decomposition of the
calculated optical conductivity into contributions from transitions between
selected energy regions of the DOS reveals the origin of the observed
anisotropy of the optical conductivity. In addition, we have investigated the
plasmon excitations related to transitions between the vanadium states within
an effective 16 site vanadium cluster model. Good agreement between the
theoretical and experimental loss function was obtained using the hopping
parameters derived from the tight binding fit to the band-structure and
moderate Coulomb interactions between the electrons within the ab plane.Comment: 23 pages, 8 figures; submitted to PR
Charged Magnons in NaV2O5
We investigated the temperature-dependent optical conductivity of NaV2O5 in
the energy range 4 meV-4 eV. The intensities and the polarization dependence of
the detected electronic excitations give a direct indication for a
broken-parity electronic ground-state and for a non-centrosymmetric crystal
structure of the system in the high-temperature phase. A direct two-magnon
optical absorption process, proposed in this Letter, is in quantitative
agreement with the optical data. By analyzing the optically allowed phonons at
various temperatures above and below the phase transition, we conclude that a
second-order change to a larger unit cell takes place below 34 K.Comment: Revtex, 4 pages, 4 postscript pictures embedded in the text. Due to
editing errors the phonon frequencies were mixed up and the title was not the
final one. The problems are now solved. Sorry! Final version for Phys. Rev.
Lett., in pres
Optical spectroscopic study of the interplay of spin and charge in NaV2O5
We investigate the temperature dependent optical properties of NaV2O5, in the
energy range 4meV-4eV. The symmetry of the system is discussed on the basis of
infrared phonon spectra. By analyzing the optically allowed phonons at
temperatures below and above the phase transition, we conclude that a
second-order change to a larger unit cell takes place below 34 K, with a
fluctuation regime extending over a broad temperature range. In the high
temperature undistorted phase, we find good agreement with the recently
proposed centrosymmetric space group Pmmn. On the other hand, the detailed
analysis of the electronic excitations detected in the optical conductivity,
provides direct evidence for a charge disproportionated electronic
ground-state, at least on a locale scale: A consistent interpretation of both
structural and optical conductivity data requires an asymmetrical charge
distribution on each rung, without any long range order. We show that, because
of the locally broken symmetry, spin-flip excitations carry a finite electric
dipole moment, which is responsible for the detection of direct two-magnon
optical absorption processes for E parallel to the a axis. The charged-magnon
model, developed to interpret the optical conductivity of NaV2O5, is described
in detail, and its relevance to other strongly correlated electron systems,
where the interplay of spin and charge plays a crucial role in determining the
low energy electrodynamics, is discussed.Comment: Revtex, 19 pages, 16 postscript pictures embedded in the text,
submitted to PRB. Find more stuff at
http://www.stanford.edu/~damascel/andreaphd.html or
http://www.ub.rug.nl/eldoc/dis/science/a.damascelli
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