NMR imaging of the soliton lattice profile in the spin-Peierls compound CuGeO_3

In the spin-Peierls compound CuGeO$_{3}$, the commensurate-incommensurate transition concerning the modulation of atomic position and the local spin-polarization is fully monitored at T=0 by the application of an external magnetic field ($H$) above a threshold value $H_{c}\simeq$ 13 Tesla. The solitonic profile of the spin-polarization, as well as its absolute magnitude, has been precisely imaged from $^{65}Cu$ NMR lineshapes obtained for $h=(H-H_{c})/H_{c}$ varying from 0.0015 to 2. This offers a unique possibility to test quantitatively the various numerical and analytical methods developed to solve a generic Hamiltonian in 1-D physics, namely strongly interacting fermions in presence of electron-phonon coupling at arbitrary band filling.Comment: 3 pages, 4 eps figures, RevTeX, submitted to Physical Review Lette

Mixing of magnetic and phononic excitations in incommensurate Spin-Peierls systems

We analyze the excitation spectra of a spin-phonon coupled chain in the presence of a soliton. This is taken as a microscopic model of a Spin-Peierls material placed in a high magnetic field. We show, by using a semiclassical approximation in the bosonized representation of the spins that a trapped magnetic state obtained in the adiabatic approximation is destroyed by dynamical phonons. Low energy states are phonons trapped by the soliton. When the magnetic gap is smaller than the phonon frequencies the only low energy state is a mixed magneto-phonon state with the energy of the gap. We emphasize that our results are relevant for the Raman spectra of the inorganic Spin-Peierls material CuGeO$_3$.Comment: 5 pages, latex, 2 figures embedded in the tex

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

Modulated Phases in Spin-Peierls Systems

Lattice modulations in the high magnetic field phase and close to impurities in spin-Peierls systems are considered and compared to experiment. Necessary extensions of existing theories are proposed. The influence of zero-point fluctuations on magnetic amplitudes is shown.Comment: 10 pages, 4 figures included, to appear in Advances in Solid State Physics/Festkoerperprobleme Spring Conference 1999 of the DP

The electronic structure and the phases of BaVS3

BaVS3 is a moderately correlated d-electron system with a rich phase diagram. To construct the corresponding minimal electronic model, one has to decide which d-states are occupied, and to which extent. The ARPES experiment presented here shows that the behavior of BaVS3 is governed by the coexistence of wide-band (A_1g) and narrow-band (twofold degenerate E) d-electrons. We sketch a lattice fermion model which may serve as a minimal model of BaVS3. This serves foremost for the understanding of the metal-insulator in pure BaVS3 and its absence in some related compounds. The nature of the low temperature magnetic order differs for several systems which may be described in terms of the same electron model. We describe several recent experiments which give information about magnetic order at high pressures. In particular, we discuss field-induced insulator-to-metal transition at slightly subcritical pressures, and an evidence for magnetic order in the high-pressure metallic phase. The phase diagram of Sr-doped BaVS3 is also discussed. The complexity of the phases of BaVS3 arises from the fact that it is simultaneously unstable against several kinds of instabilities.Comment: Presented at the International Conference on Magnetism 2006 (Kyoto), 6 pages, 9 figure

Ab initio evaluation of the charge-ordering in α′NaV2O5\alpha^\prime NaV_2O_5

We report {\it ab initio} calculations of the charge ordering in $\alpha^\prime NaV_2O_5$ using large configurations interaction methods on embedded fragments. Our major result is that the $2p_y$ 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

Ultrafast Atomic Diffusion Inducing a Reversible (2√3×2√3)R30°↔(√3×√3)R30° Transition on Sn/Si(111)∶B

Dynamical phase transitions are a challenge to identify experimentally and describe theoretically. Here, we study a new reconstruction of Sn on silicon and observe a reversible transition where the surface unit cell divides its area by a factor of 4 at 250 °C. This phase transition is explained by the 24-fold degeneracy of the ground state and a novel diffusive mechanism, where four Sn atoms arranged in a snakelike cluster wiggle at the surface exploring collectively the different quantum mechanical ground states.This work was supported by the French Agence Nationale de la Recherche (ANR) under Contract SurMott, No. NT-09-618999, and by Spanish Ministerio de Economía y Competitividad, Project No. MAT2014-59966-R

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

Thermal Conductivity of the Spin Peierls Compound CuGeO_3

The thermal conductivity of the Spin-Peierls (SP) compound CuGeO_3 was measured in magnetic fields up to 16 T. Above the SP transition, the heat transport due to spin excitations causes a peak at around 22 K, while below the transition the spin excitations rapidly diminish and the heat transport is dominated by phonons; however, the main scattering process of the phonons is with spin excitations, which demonstrates itself in an unusual peak in the thermal conductivity at about 5.5 K. This low-temperature peak is strongly suppressed with magnetic fields in excess of 12.5 T.Comment: 6 pages, including 2 postscript figure

Competition and coexistence of bond and charge orders in (TMTTF)2AsF6

(TMTTF)2AsF6 undergoes two phase transitions upon cooling from 300 K. At Tco=103 K a charge-ordering (CO) occurs, and at Tsp(B=9 T)=11 K the material undergoes a spin-Peierls (SP) transition. Within the intermediate, CO phase, the charge disproportionation ratio is found to be at least 3:1 from carbon-13 NMR 1/T1 measurements on spin-labeled samples. Above Tsp, up to about 3Tsp, 1/T1 is independent of temperature, indicative of low-dimensional magnetic correlations. With the application of about 0.15 GPa pressure, Tsp increases substantially, while Tco is rapidly suppressed, demonstrating that the two orders are competing. The experiments are compared to results obtained from calculations on the 1D extended Peierls-Hubbard model.Comment: 4 pages, 5 figure