Sensing behavior of acetone vapors on TiO2_2 nanostructures --- application of density functional theory

The electronic properties of TiO$_2$ nanostructure are explored using density functional theory. The adsorption properties of acetone on TiO$_2$ nanostructure are studied in terms of adsorption energy, average energy gap variation and Mulliken charge transfer. The density of states spectrum and the band structure clearly reveals the adsorption of acetone on TiO$_2$ nanostructures. The variation in the energy gap and changes in the density of charge are observed upon adsorption of acetone on n-type TiO$_2$ base material. The results of DOS spectrum reveal that the transfer of electrons takes place between acetone vapor and TiO$_2$ base material. The findings show that the adsorption property of acetone is more favorable on TiO$_2$ nanostructure. Suitable adsorption sites of acetone on TiO$_2$ nanostructure are identified at atomistic level. From the results, it is confirmed that TiO$_2$ nanostructure can be efficiently utilized as a sensing element for the detection of acetone vapor in a mixed environment.Comment: 13 pages, 14 figures, 3 table

Reversal of particle-hole scattering-rate asymmetry in Anderson impurity model

We study the particle-hole asymmetry of the scattering rate in strongly correlated electron systems by examining the cubic $\omega^3$ and $\omega T^2$ terms in the imaginary part of the self-energy of the Anderson impurity model. We show that the sign is opposite in the weak-coupling and strong-coupling limits, explaining the differences found in theoretical approaches taking the respective limits as the starting points. The sign change in fact precisely delineates the cross-over between the weak and strong correlation regimes of the model. For weak interaction $U$ the sign reversal occurs for small values of the doping $\delta=1-n$, while for interaction of order $U \approx 2 \Gamma$, $\Gamma$ being the hybridization strength, the cross-over curve rapidly shifts to the large-doping range. This curve based on the impurity dynamics is genuinely different from other cross-over curves defined through impurity thermodynamic and static properties.Comment: 4 pages, 5 figure

Localization and transport in a strongly driven Anderson insulator

We study localization and charge dynamics in a monochromatically driven one-dimensional Anderson insulator focussing on the low-frequency, strong-driving regime. We study this problem using a mapping of the Floquet Hamiltonian to a hopping problem with correlated disorder in one higher harmonic-space dimension. We show that (i) resonances in this model correspond to \emph{adiabatic} Landau-Zener (LZ) transitions that occur due to level crossings between lattice sites over the course of dynamics; (ii) the proliferation of these resonances leads to dynamics that \emph{appear} diffusive over a single drive cycle, but the system always remains localized; (iii) actual charge transport occurs over many drive cycles due to slow dephasing between these LZ orbits and is logarithmic-in-time, with a crucial role being played by far-off Mott-like resonances; and (iv) applying a spatially-varying random phase to the drive tends to decrease localization, suggestive of weak-localization physics. We derive the conditions for the strong driving regime, determining the parametric dependencies of the size of Floquet eigenstates, and time-scales associated with the dynamics, and corroborate the findings using both numerical scaling collapses and analytical arguments.Comment: 7 pages + references, 6 figure