Analysis of the Scanning Tunneling Microscopy Images of the Charge Density Wave Phase in Quasi-one-dimensional Rb0.3MoO3

The experimental STM images for the CDW phase of the blue bronze RbMoO3 have been successfully explained on the basis of first-principles DFT calculations. Although the density of states near the Fermi level strongly concentrates in two of the three types of Mo atoms Mo-II and Mo-III, the STM measurement mostly probes the contribution of the uppermost O atoms of the surface, associated with the Mo-IO6 octahedra. In addition, it is found that the surface concentration of Rb atoms plays a key role in determining the surface nesting vector and hence the periodicity of the CDW modulation. Significant experimental inhomogeneities of the b* surface component of the wavevector of the modulation, probed by STM, are reported. The calculated changes in the surface nesting vector are consistent with the observed experimental inhomogeneities.Comment: 4 pages 5 Figure

Maximizing decision rate in multisensory integration

Effective decision-making in an uncertain world requires making use of all available information, even if distributed across different sensory modalities, as well as trading off the speed of a decision with its accuracy. In tasks with a fixed stimulus presentation time, animal and human subjects have previously been shown to combine information from several modalities in a statistically optimal manner. Furthermore, for easily discriminable stimuli and under the assumption that reaction times result from a race-to-threshold mechanism, multimodal reaction times are typically faster than predicted from unimodal conditions when assuming independent (parallel) races for each modality. However, due to a lack of adequate ideal observer models, it has remained unclear whether subjects perform optimal cue combination when they are allowed to choose their response times freely.
Based on data collected from human subjects performing a visual/vestibular heading discrimination task, we show that the subjects exhibit worse discrimination performance in the multimodal condition than predicted by standard cue combination criteria, which relate multimodal discrimination performance to sensitivity in the unimodal conditions. Furthermore, multimodal reaction times are slower than those predicted by a parallel race model, opposite to what is commonly observed for easily discriminable stimuli.
Despite violating the standard criteria for optimal cue combination, we show that subjects still accumulate evidence optimally across time and cues, even when the strength of the evidence varies with time. Additionally, subjects adjust their decision bounds, controlling the trade-off between speed and accuracy of a decision, such that they feature correct decision rates close to the maximum achievable value

A New Scenario on the Metal-Insulator Transition in VO2

The metal-insulator transition in VO2 was investigated using the three-band Hubbard model, in which the degeneracy of the 3d orbitals, the on-site Coulomb and exchange interactions, and the effects of lattice distortion were considered. A new scenario on the phase transition is proposed, where the increase in energy level separation among the t_2g orbitals caused by the lattice distortion triggers an abrupt change in the electronic configuration in doubly occupied sites from an S=1 Hund's coupling state to a spin S=0 state with much larger energy, and this strongly suppresses the charge fluctuation. Although the material is expected to be a Mott-Hubbard insulator in the insulating phase, the metal-to-insulator transition is not caused by an increase in relative strength of the Coulomb interaction against the electron hopping as in the usual Mott transition, but by the level splitting among the t_2g orbitals against the on-site exchange interaction. The metal-insulator transition in Ti2O3 can also be explained by the same scenario. Such a large change in the 3d orbital occupation at the phase transition can be detected by linear dichroic V 2p x-ray absorption measurements.Comment: 5 pages, 5 figures, to be published in J. Phys. Soc. Jpn. Vol. 72 No. 1

High In-content InGaN layers synthesized by plasma-assisted molecular-beam epitaxy: growth conditions, strain relaxation and In incorporation kinetics

We report the interplay between In incorporation and strain relaxation kinetics in high-In-content InxGa1-xN (x = 0.3) layers grown by plasma-assisted molecular-beam epitaxy. For In mole fractions x = 0.13-0.48, best structural and morphological quality is obtained under In excess conditions, at In accumulation limit, and at a growth temperature where InGaN decomposition is active. Under such conditions, in situ and ex situ analysis of the evolution of the crystalline structure with the growth thickness points to an onset of misfit relaxation after the growth of 40 nm, and a gradual relaxation during more than 200 nm which results in an inhomogeneous strain distribution along the growth axis. This process is associated with a compositional pulling effect, i.e. indium incorporation is partially inhibited in presence of compressive strain, resulting in a compositional gradient with increasing In mole fraction towards the surface

Anomalous dispersion of optical phonons at the neutral-ionic transition: Evidence from diffuse X-ray scattering

Diffuse X-ray data for mixed stack organic charge-transfer crystals approaching the neutral-ionic phase transition can be quantitatively explained as due to the softening of the optical phonon branch. The interpretation is fully consistent with vibrational spectra, and underlines the importance of electron-phonon coupling in low-dimensional systems with delocalized electrons.Comment: 4 pages, 4 figure

Low temperature structural effects in the (TMTSF)2_2PF6_6 and AsF6_6 Bechgaard salts

We present a detailed low-temperature investigation of the statics and dynamics of the anions and methyl groups in the organic conductors (TMTSF)$_2$PF$_6$ and (TMTSF)$_2$AsF$_6$ (TMTSF : tetramethyl-tetraselenafulvalene). The 4 K neutron scattering structure refinement of the fully deuterated (TMTSF)$_2$PF$_6$-D12 salt allows locating precisely the methyl groups at 4 K. This structure is compared to the one of the fully hydrogenated (TMTSF)$_2$PF$_6$-H12 salt previously determined at the same temperature. Surprisingly it is found that deuteration corresponds to the application of a negative pressure of 5 x 10$^2$ MPa to the H12 salt. Accurate measurements of the Bragg intensity show anomalous thermal variations at low temperature both in the deuterated PF$_6$ and AsF$_6$ salts. Two different thermal behaviors have been distinguished. Low-Bragg-angle measurements reflect the presence of low-frequency modes at characteristic energies {\theta}$_E$ = 8.3 K and {\theta}$_E$ = 6.7 K for the PF$_6$-D12 and AsF$_6$-D12 salts, respectively. These modes correspond to the low-temperature methyl group motion. Large-Bragg-angle measurements evidence an unexpected structural change around 55 K which probably corresponds to the linkage of the anions to the methyl groups via the formation of F...D-CD2 bonds observed in the 4 K structural refinement. Finally we show that the thermal expansion coefficient of (TMTSF)$_2$PF$_6$ is dominated by the librational motion of the PF$_6$ units. We quantitatively analyze the low-temperature variation of the lattice expansion via the contribution of Einstein oscillators, which allows us to determine for the first time the characteristic frequency of the PF6 librations: {\theta}$_E$ = 50 K and {\theta}$_E$ = 76 K for the PF$_6$-D12 and PF$_6$-H12 salts, respectively

Linear viscoelastic properties of high reclaimed asphalt content mixes with biobinders

The use of high Reclaimed Asphalt (RA) content mixtures together with binders produced from renewable resources (biobinders) is one of the current challenges in pavement engineering research. On one hand, RA has been used for decades but there are still some concerns about its performance, especially when high contents are used (>30%). On the other hand, biobinders are relatively new materials which have to be deeply characterised and studied in order to develop good-practices for their use. In this paper, linear viscoelastic properties of biobinders and bio-mixtures manufactured with high-RA content and biobinders are analysed and discussed. High-modulus mixtures with 50% RA were selected for the mix design. Binders and mixtures were tested over a wide range of asphalt service temperatures and frequencies by means of DSR and two-point bending tests respectively. Results show that biobinders have an important effect on mixtures behaviour. However, no direct links between their linear viscoelastic properties were found. Bio-asphalt mixtures still need further development for commercial exploitation; however the take-away fact of this investigation is that it is possible to manufacture asphalt-like mixtures with acceptable viscoelastic properties while being composed only of RA and non-petroleum based binders

Modulation of charge-density waves by superlattice structures

We discuss the interplay between electronic correlations and an underlying superlattice structure in determining the period of charge density waves (CDW's), by considering a one-dimensional Hubbard model with a repeated (non-random) pattern of repulsive (U>0) and free (U=0) sites. Density matrix renormalization group diagonalization of finite systems (up to 120 sites) is used to calculate the charge-density correlation function and structure factor in the ground state. The modulation period can still be predicted through effective Fermi wavevectors, k_F*, and densities, and we have found that it is much more sensitive to electron (or hole) doping, both because of the narrow range of densities needed to go from q*=0 to \pi, but also due to sharp 2k_F*-4k_F* transitions; these features render CDW's more versatile for actual applications in heterostructures than in homogeneous systems.Comment: 4 pages, 5 figures, to appear in Phys Rev

Polar phonons and intrinsic dielectric response of the ferromagnetic insulating spinel CdCr2_2S4_4 from first principles

We have studied the dielectric properties of the ferromagnetic spinel CdCr$_2$S$_4$ from first principles. Zone-center phonons and Born effective charges were calculated by frozen-phonon and Berry phase techniques within LSDA+U. We find that all infrared-active phonons are quite stable within the cubic space group. The calculated static dielectric constant agrees well with previous measurements. These results suggest that the recently observed anomalous dielectric behavior in CdCr$_2$S$_4$ is not due to the softening of a polar mode. We suggest further experiments to clarify this point