1,018 research outputs found
The symmetry problem in NaV2O5
We discuss the symmetry of NaV2O5 in the high temperature phase on the basis
of optical conductivity data. Conclusive information cannot be obtained by
studying the optically allowed lattice vibrations. However, intensity and
polarization of the electronic excitations give a direct indication for a
broken-parity electronic ground-state. This is responsible for the detection of
charged bi-magnons in the optical spectrum.Comment: Revtex, 2 pages, 1 postscript picture embedded in the tex
Optical Conductivity of the Trellis-Lattice t-J Model: Charge Fluctuations in NaV_2O_5
Optical conductivity of the trellis lattice t-J model at quarter filling is
calculated by an exact-diagonalization technique on small clusters, whereby the
valence state of V ions of NaV_2O_5 is considered. We show that the
experimental features at \sim 1 eV, including peak positions, presence of
shoulders, and anisotropic spectral weight, can be reproduced in reasonable
range of parameter values, only by assuming that the system is in the charge
disproportionated ground state. Possible reconciliation with experimental data
suggesting the presence of uniform ladders at T>T_c is discussed.Comment: 4 pages, 4 gif figures. Minor revisions have been made. Hardcopies of
figures (or the entire manuscript) can be obtained by e-mail request to
[email protected]
NaV_2O_5 as an Anisotropic t-J Ladder at Quarter Filling
Based on recent experimental evidences that the electronic charge degrees of
freedom plays an essential role in the spin-Peierls--like phase transition of
NaVO, we first make the mapping of low-energy electronic states of the
model for NaVO to the quarter-filled ladder with
anisotropic parameter values between legs and rungs, and then show that this
anisotropic ladder is in the Mott insulating state, of which
lowest-energy states can be modeled by the one-dimensional Heisenberg
antiferromagnet with the effective exchange interaction whose value
is consistent with experimental estimates. We furthermore examine the coupling
between the ladders as the trellis lattice model and show that the
nearest-neighbor Coulomb repulsion on the zigzag-chain bonds can lead to the
instability in the charge degrees of freedom of the ladders.Comment: 4 pages, 5 gif figures. Fig.3 corrected. Hardcopies of figures (or
the entire manuscript) can be obtained by e-mail request to
[email protected]
A Variational Level Set Approach for Surface Area Minimization of Triply Periodic Surfaces
In this paper, we study triply periodic surfaces with minimal surface area
under a constraint in the volume fraction of the regions (phases) that the
surface separates. Using a variational level set method formulation, we present
a theoretical characterization of and a numerical algorithm for computing these
surfaces. We use our theoretical and computational formulation to study the
optimality of the Schwartz P, Schwartz D, and Schoen G surfaces when the volume
fractions of the two phases are equal and explore the properties of optimal
structures when the volume fractions of the two phases not equal. Due to the
computational cost of the fully, three-dimensional shape optimization problem,
we implement our numerical simulations using a parallel level set method
software package.Comment: 28 pages, 16 figures, 3 table
A Model Study of the Low-Energy Charge Dynamics of NaV_2O_5
An exact-diagonalization technique on small clusters is used to calculate the
dynamical density correlation functions of the dimerized t-J chain and coupled
anisotropic t-J ladders (trellis lattice) at quarter filling, i.e., the systems
regarded as a network of pairs (dimers or rungs) of sites coupled weakly via
the hopping and exchange interactions. We thereby demonstrate that the
intersite Coulomb repulsions between the pairs induce a low-energy collective
mode in the charge excitations of the systems where the internal charge degrees
of freedom of the pairs play an essential role. Implications to the electronic
states of NaV_2O_5, i.e., fluctuations of the valence state of V ions and phase
transition as a charge ordering, are discussed.Comment: 4 pages, 4 gif figures. Hardcopies of figures (or the entire
manuscript) can be obtained by e-mail request to [email protected]
Interference of a first-order transition with the formation of a spin-Peierls state in alpha'-NaV2O5?
We present results of high-resolution thermal-expansion and specific-heat
measurements on single crystalline alpha'-NaV2O5. We find clear evidence for
two almost degenerate phase transitions associated with the formation of the
dimerized state around 33K: A sharp first-order transition at T1=(33+-0.1)K
slightly below the onset of a second-order transition at T2onset around
(34+-0.1)K. The latter is accompanied by pronounced spontaneous strains. Our
results are consistent with a structural transformation at T1 induced by the
incipient spin-Peierls (SP) order parameter above T2=TSP.Comment: 5 pages, 7 figure
Optical properties and electronic structure of Ca-doped alpha'-NaV2O5
The dielectric function of alpha'-Na(1-x)Ca(x)V2O5 (0 < x < 20%) was measured
for the a and b axes in the photon energy range 0.8-4.5 eV at room temperature.
By varying the Ca-concentration we control the relative abundancy of V4+ and
V5+. We observe that the intensity of the main optical absorption peak at 1 eV
is proportional to the number of V5+ ions. This rules out the interpretation as
a V4+ d-d excitation, and it establishes that this is the on-rung
bonding-antibonding transition.Comment: 6 pages, ReVTeX, 5 figures in encapsulated postscript forma
Zigzag Charge Ordering in alpha'-NaV2O5
23Na NMR spectrum measurements in alpha'-NaV2O5 with a single- crystalline
sample are reported. In the charge-ordered phase, the number of inequivalent Na
sites observed is more than that expected from the low-temperature structures
of space group Fmm2 reported so far. This disagreement indicates that the real
structure including both atomic displacement and charge disproportionation is
of lower symmetry. It is suggested that zigzag ordering is the most probable.
The temperature variation of the NMR spectra near the transition temperature is
incompatible with that of second-order transitions. It is thus concluded that
the charge ordering transition is first-order.Comment: 4 pages, 5 eps figures, submitted to J. Phys. Soc. Jp
Investigation of thermal and magnetic properties of defects in a spin-gap compound NaV2O5
The specific heat, magnetic susceptibility and ESR signals of a Na-deficient
vanadate Na_xV_2O_5 (x=1.00 - 0.90) were studied in the temperature range 0.07
- 10 K, well below the transition point to a spin-gap state. The contribution
of defects provided by sodium vacancies to the specific heat was observed. It
has a low temperature part which does not tend to zero till at least 0.3 K and
a high temperature power-like tail appears above 2 K. Such dependence may
correspond to the existence of local modes and correlations between defects in
V-O layers. The magnetic measurements and ESR data reveal S=1/2 degrees of
freedom for the defects, with their effective number increasing in temperature
and under magnetic field. The latter results in the nonsaturating magnetization
at low temperature. No long-range magnetic ordering in the system of defects
was found. A model for the defects based on electron jumps near vacancies is
proposed to explain the observed effects. The concept of a frustrated
two-dimensional correlated magnet induced by the defects is considered to be
responsible for the absence of magnetic ordering.Comment: 6 pages, 8 figure
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