Surface versus bulk characterization of the electronic inhomogeneity in a VO_{2} film

We investigated the inhomogeneous electronic properties at the surface and interior of VO_{2} thin films that exhibit a strong first-order metal-insulator transition (MIT). Using the crystal structural change that accompanies a VO_{2} MIT, we used bulk-sensitive X-ray diffraction (XRD) measurements to estimate the fraction of metallic volume p^{XRD} in our VO_{2} film. The temperature dependence of the p$^{XRD}$ was very closely correlated with the dc conductivity near the MIT temperature, and fit the percolation theory predictions quite well: $\sigma$ $\sim$ (p - p_{c})^{t} with t = 2.0$\pm$0.1 and p_{c} = 0.16$\pm$0.01. This agreement demonstrates that in our VO$_{2}$ thin film, the MIT should occur during the percolation process. We also used surface-sensitive scanning tunneling spectroscopy (STS) to investigate the microscopic evolution of the MIT near the surface. Similar to the XRD results, STS maps revealed a systematic decrease in the metallic phase as temperature decreased. However, this rate of change was much slower than the rate observed with XRD, indicating that the electronic inhomogeneity near the surface differs greatly from that inside the film. We investigated several possible origins of this discrepancy, and postulated that the variety in the strain states near the surface plays an important role in the broad MIT observed using STS. We also explored the possible involvement of such strain effects in other correlated electron oxide systems with strong electron-lattice interactions.Comment: 27 pages and 7 figure

Classical Spin Models with Broken Continuous Symmetry: Random Field Induced Order and Persistence of Spontaneous Magnetization

We consider a classical spin model, of two-dimensional spins, with continuous symmetry, and investigate the effect of a symmetry breaking unidirectional quenched disorder on the magnetization of the system. We work in the mean field regime. We show, by numerical simulations and by perturbative calculations in the low as well as in the high temperature limits, that although the continuous symmetry of the magnetization is lost, the system still magnetizes, albeit with a lower value as compared to the case without disorder. The critical temperature at which the system starts magnetizing, also decreases with the introduction of disorder. However, with the introduction of an additional constant magnetic field, the component of magnetization in the direction that is transverse to the disorder field increases with the introduction of the quenched disorder. We discuss the same effects also for three-dimensional spins.Comment: 12 pages, 12 figures, RevTeX

Phase Transitions in a Two-Component Site-Bond Percolation Model

A method to treat a N-component percolation model as effective one component model is presented by introducing a scaled control variable $p_{+}$. In Monte Carlo simulations on $16^{3}$, $32^{3}$, $64^{3}$ and $128^{3}$ simple cubic lattices the percolation threshold in terms of $p_{+}$ is determined for N=2. Phase transitions are reported in two limits for the bond existence probabilities $p_{=}$ and $p_{\neq}$. In the same limits, empirical formulas for the percolation threshold $p_{+}^{c}$ as function of one component-concentration, $f_{b}$, are proposed. In the limit $p_{=} = 0$ a new site percolation threshold, $f_{b}^{c} \simeq 0.145$, is reported.Comment: RevTeX, 5 pages, 5 eps-figure

Atomistic simulation of light-induced changes in hydrogenated amorphous silicon

We employ ab initio molecular dynamics to simulate the response of hydrogenated amorphous silicon to light exposure (Staebler-Wronski effect). We obtain improved microscopic understanding of PV operation, compute the motion of H atoms, and modes of light-induced degradation of photovoltaics. We clarify existing models of light-induced change in aSi:H and show that the Hydrogen collision model of Branz3 is correct in essentials.Comment: 10 pages, 3 figures, to be published in J. Phys. Cond matt. (Letter

Infrared and Raman spectra of LiV2O5 single crystals

The phonon dynamics of LiV2O5 single crystals is studied using infrared and Raman spectroscopy techniques. The infrared-active phonon frequencies and dielectric constants are obtained by oscillator fitting procedure of the reflectivity data measured at room temperature. The Raman scattering spectra are measured at room temperature and at T=10 K in all nonequivalent polarized configurations. The assignment of the phonons is done by comparing the infrared and Raman spectra of LiV2O5 and NaV2O5. The factor-group-analysis of the LiV2O5 crystal symmetry and of its constituent layers is performed to explain the symmetry properties of the observed modes. We concluded that layer symmetry dominates in the vibrational properties of this compound.Comment: 10 pages, 5 figure

Optimal Packings of Superballs

Dense hard-particle packings are intimately related to the structure of low-temperature phases of matter and are useful models of heterogeneous materials and granular media. Most studies of the densest packings in three dimensions have considered spherical shapes, and it is only more recently that nonspherical shapes (e.g., ellipsoids) have been investigated. Superballs (whose shapes are defined by |x1|^2p + |x2|^2p + |x3|^2p <= 1) provide a versatile family of convex particles (p >= 0.5) with both cubic- and octahedral-like shapes as well as concave particles (0 < p < 0.5) with octahedral-like shapes. In this paper, we provide analytical constructions for the densest known superball packings for all convex and concave cases. The candidate maximally dense packings are certain families of Bravais lattice packings. The maximal packing density as a function of p is nonanalytic at the sphere-point (p = 1) and increases dramatically as p moves away from unity. The packing characteristics determined by the broken rotational symmetry of superballs are similar to but richer than their two-dimensional "superdisk" counterparts, and are distinctly different from that of ellipsoid packings. Our candidate optimal superball packings provide a starting point to quantify the equilibrium phase behavior of superball systems, which should deepen our understanding of the statistical thermodynamics of nonspherical-particle systems.Comment: 28 pages, 16 figure

Raman spectrum and lattice parameters of MgB2 as a function of pressure

We report Raman spectra and synchrotron x-ray diffraction measurements of lattice parameters of polycrystalline MgB2 under hydrostatic pressure conditions up to 15 GPa. An anomalously broadened Raman band at 620 cm-1 is observed that exhibits a large linear pressure shift of its frequency. The large mode damping and Gruneisen parameter indicate a highly anharmonic nature of the mode, broadly consistent with theoretical predictions for the E2g in-plane boron stretching mode. The results obtained may provide additional constraints on the electron-phonon coupling in the system.Comment: 3 pages, 3 figure

Superdipole Liquid Scenario for the Dielectric Primary Relaxation in Supercooled Polar liquids

We propose a dynamic structure of coupled dynamic molecular strings for supercooled small polar molecule liquids and accordingly we obtain the Hamiltonian of the rotational degrees of freedom of the system. From the Hamiltonian, the strongly correlated supercooled polar liquid state is renormalized to a normal superdipole (SD) liquid state. This scenario describes the following main features of the primary or a-relaxation dynamics in supercooled polar liquids: (1) the average relaxation time evolves from a high temperature Arrhenius to a low temperature non-Arrhenius or super-Arrhenius behavior; (2) the relaxation function crosses over from the high temperature exponential to low temperature non-exponential form; and (3) the temperature dependence of the relaxation strength shows non-Curie features. According to the present model, the crossover phenomena of the first two characteristics arise from the transition between the superdipole gas and the superdipole liquid. The model predictions are quantitatively compared with the experimental results of glycerol, a typical glass-former.Comment: 40 pages, 3 figure

Long term aging of Selenide glasses: Evidence of sub-Tg endotherms and pre-Tg exotherms

Long term aging is studied on several families of chalcogenide glasses including the Ge-Se, As-Se, Ge-P-Se and Ge-As-Se systems. Special attention is given to the As-Se binary, a system that displays a rich variety of aging behavior intimately tied to sample synthesis conditions and the ambient environment in which samples are aged. Calorimetric (Modulated DSC) and Raman scattering experiments are undertaken. Our results show all samples display a sub-Tg endotherm below Tg in glassy networks possessing a mean coordination number r in the 2.25 < r < 2.45 range. Two sets of AsxSe1-x samples aged for 8 years were compared, set A consisted of slow cooled samples aged in the dark, and set B consisted of melt quenched samples aged at laboratory environment. Samples of set B in the As concentration range, 35% < x < 60%, display a pre-Tg exotherm, but the feature is not observed in samples of set A. The aging behavior of set A presumably represents intrinsic aging in these glasses, while that of set B is extrinsic due to presence of light. The reversibility window persists in both sets of samples but is less well defined in set B. These findings contrast with a recent study by Golovchak et al., which finds the onset of the reversibility window moved up to the stoichiometric composition (x = 40%). Here we show that the upshifted window is better understood as resulting due to demixing of As4Se4 and As4Se3 molecules from the backbone, i.e., Nanoscale phase separation (NSPS). We attribute sub-Tg endotherms to compaction of the flexible part of networks upon long term aging, while the pre-Tg exotherm to NSPS. Finally, the narrowing and sharpening of the reversibility window upon aging is interpreted as the slow 'self-organizing' stress relaxation of the phases just outside the Intermediate phase.Comment: In press - J. of Physics: Condensed Matte