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]

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

Flux pinning in (1111) iron-pnictide superconducting crystals

Local magnetic measurements are used to quantitatively characterize heterogeneity and flux line pinning in PrFeAsO_1-y and NdFeAs(O,F) superconducting single crystals. In spite of spatial fluctuations of the critical current density on the macroscopic scale, it is shown that the major contribution comes from collective pinning of vortex lines by microscopic defects by the mean-free path fluctuation mechanism. The defect density extracted from experiment corresponds to the dopant atom density, which means that dopant atoms play an important role both in vortex pinning and in quasiparticle scattering. In the studied underdoped PrFeAsO_1-y and NdFeAs(O,F) crystals, there is a background of strong pinning, which we attribute to spatial variations of the dopant atom density on the scale of a few dozen to one hundred nm. These variations do not go beyond 5% - we therefore do not find any evidence for coexistence of the superconducting and the antiferromagnetic phase. The critical current density in sub-T fields is characterized by the presence of a peak effect, the location of which in the (B,T)-plane is consistent with an order-disorder transition of the vortex lattice.Comment: 12 pages, submitted to Phys Rev.

Patterning enhanced tetragonality in BiFeO3 thin films with effective negative pressure by helium implantation

Helium implantation in epitaxial thin films is a way to control the out-of-plane deformation independentlyfrom the in-plane strain controlled by epitaxy. In particular, implantation by means of a helium microscopeallows for local implantation and patterning down to the nanometer resolution, which is of interest for deviceapplications. We present here a study of bismuth ferrite (BiFeO3) films where strain was patterned locally byhelium implantation. Our combined Raman, x-ray diffraction, and transmission electron microscopy (TEM)study shows that the implantation causes an elongation of the BiFeO3unit cell and ultimately a transition towardsthe so-called supertetragonal polymorph via states with mixed phases. In addition, TEM reveals the onset ofamorphization at a threshold dose that does not seem to impede the overall increase in tetragonality. The phasetransition from the R-like to T-like BiFeO3appears as first-order in character, with regions of phase coexistenceand abrupt changes in lattice parameters

Spin-Peierls transition in NaV2O5 in high magnetic fields

We investigate the magnetic field dependence of the spin-Peierls transition in NaV$_2$O$_5$ in the field range 16T-30T. The transition temperature exhibits a very weak variation with the field, suggesting a novel mechanism for the formation of the spin-Peierls state. We argue that a charge ordering transition accompanied by singlet formation is consistent with our observations.Comment: 4 pages, 3 figures, final version to appear in Phys. Rev. B (RC

Using electronic structure changes to map the H-T phase diagram of alpha'-NaV2O5

We report polarized optical reflectance studies of \alpha'-NaV2O5 as a function of temperature (4-45 K) and magnetic field (0-60 T). Rung directed electronic structure changes, as measured by near-infrared reflectance ratios \Delta R(H)=R(H)/R(H=0 T), are especially sensitive to the phase boundaries. We employ these changes to map out an H-T phase diagram. Topological highlights include the observation of two phase boundaries slightly below T_{SG}, enhanced curvature of the 34 K phase boundary above 35 T, and, surprisingly, strong hysteresis effects of both transitions with applied field.Comment: 4 pages, 3 figures, PRB accepte

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

High frequency ESR investigation on dynamical charge disproportionation and spin gap excitation in NaV_2O_5

A significant frequency dependence of the ESR line width is found in NaV_2O_5 between 34-100 K and the line width increases as the resonance frequency is increased from 95 GHz to 760 GHz. The observed frequency dependence is qualitatively explained in terms of the dynamical charge disproportionation. The present results show the essential role of the internal charge degree of freedom in a V-O-V bond. We have also proposed the existence of the Dzyaloshinsky-Moriya interaction in the low temperature charge ordered phase considering the breaking of the selection rule of ESR realized as the direct observation of the spin gap excitation.Comment: 9 figures submitted to J. Phys.Soc. Jp

Spin gap behavior and charge ordering in \alpha^{\prime}-NaV_2O_5 probed by light scattering

We present a detailed analysis of light scattering experiments performed on the quarter-filled spin ladder compound $\alpha^\prime$-NaV$_{2}$O$_{5}$ for the temperature range 5 K$\le$T$\le$300 K. This system undergoes a phase transition into a singlet ground state at T=34 K accompanied by the formation of a super structure. For T$\leq$34 K several new modes were detected. Three of these modes are identified as magnetic bound states. Experimental evidence for charge ordering on the V sites is detected as an anomalous shift and splitting of a V-O vibration at 422 cm$^{-1}$ for temperatures above 34 K. The smooth and crossover-like onset of this ordering at T$_{\rm CO}$= 80 K is accompanied by pretransitional fluctuations both in magnetic and phononic Raman scattering. It resembles the effect of stripe order on the super structure intensities in La$_2$NiO$_{4+\delta}$.Comment: 36 pages, 11 figures, accepted for publication in PRB (sept.99

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