Optical Studies of Metal- Semiconductor Transmutations Produced by Intercalation

Spectra of the alkali metal intercalation products of MoS2 and NbSc2 arc interpreted in terms of a previously published band model

Steady-State Cracks in Viscoelastic Lattice Models

We study the steady-state motion of mode III cracks propagating on a lattice exhibiting viscoelastic dynamics. The introduction of a Kelvin viscosity $\eta$ allows for a direct comparison between lattice results and continuum treatments. Utilizing both numerical and analytical (Wiener-Hopf) techniques, we explore this comparison as a function of the driving displacement $\Delta$ and the number of transverse sites $N$. At any $N$, the continuum theory misses the lattice-trapping phenomenon; this is well-known, but the introduction of $\eta$ introduces some new twists. More importantly, for large $N$ even at large $\Delta$, the standard two-dimensional elastodynamics approach completely misses the $\eta$-dependent velocity selection, as this selection disappears completely in the leading order naive continuum limit of the lattice problem.Comment: 27 pages, 8 figure

An accurate description of quantum size effects in InP nanocrystallites over a wide range of sizes

We obtain an effective parametrization of the bulk electronic structure of InP within the Tight Binding scheme. Using these parameters, we calculate the electronic structure of InP clusters with the size ranging upto 7.5 nm. The calculated variations in the electronic structure as a function of the cluster size is found to be in excellent agreement with experimental results over the entire range of sizes, establishing the effectiveness and transferability of the obtained parameter strengths.Comment: 9 pages, 3 figures, pdf file available at http://sscu.iisc.ernet.in/~sampan/publications.htm

Evolution of the electronic structure with size in II-VI semiconductor nanocrystals

In order to provide a quantitatively accurate description of the band gap variation with sizes in various II-VI semiconductor nanocrystals, we make use of the recently reported tight-binding parametrization of the corresponding bulk systems. Using the same tight-binding scheme and parameters, we calculate the electronic structure of II-VI nanocrystals in real space with sizes ranging between 5 and 80 {\AA} in diameter. A comparison with available experimental results from the literature shows an excellent agreement over the entire range of sizes.Comment: 17 pages, 4 figures, accepted in Phys. Rev.

Distribution of graph-distances in Boltzmann ensembles of RNA secondary structures

Large RNA molecules often carry multiple functional domains whose spatial arrangement is an important determinant of their function. Pre-mRNA splicing, furthermore, relies on the spatial proximity of the splice junctions that can be separated by very long introns. Similar effects appear in the processing of RNA virus genomes. Albeit a crude measure, the distribution of spatial distances in thermodynamic equilibrium therefore provides useful information on the overall shape of the molecule can provide insights into the interplay of its functional domains. Spatial distance can be approximated by the graph-distance in RNA secondary structure. We show here that the equilibrium distribution of graph-distances between arbitrary nucleotides can be computed in polynomial time by means of dynamic programming. A naive implementation would yield recursions with a very high time complexity of O(n^11). Although we were able to reduce this to O(n^6) for many practical applications a further reduction seems difficult. We conclude, therefore, that sampling approaches, which are much easier to implement, are also theoretically favorable for most real-life applications, in particular since these primarily concern long-range interactions in very large RNA molecules.Comment: Peer-reviewed and presented as part of the 13th Workshop on Algorithms in Bioinformatics (WABI2013

Excitons in type-II quantum dots: Finite offsets

Quantum size effects for an exciton attached to a spherical quantum dot are calculated by a variational approach. The band line-ups are assumed to be type-II with finite offsets. The dependence of the exciton binding energy upon the dot radius and the offsets is studied for different sets of electron and hole effective masses

Monte-Carlo simulations of the recombination dynamics in porous silicon

A simple lattice model describing the recombination dynamics in visible light emitting porous Silicon is presented. In the model, each occupied lattice site represents a Si crystal of nanometer size. The disordered structure of porous Silicon is modeled by modified random percolation networks in two and three dimensions. Both correlated (excitons) and uncorrelated electron-hole pairs have been studied. Radiative and non-radiative processes as well as hopping between nearest neighbor occupied sites are taken into account. By means of extensive Monte-Carlo simulations, we show that the recombination dynamics in porous Silicon is due to a dispersive diffusion of excitons in a disordered arrangement of interconnected Si quantum dots. The simulated luminescence decay for the excitons shows a stretched exponential lineshape while for uncorrelated electron-hole pairs a power law decay is suggested. Our results successfully account for the recombination dynamics recently observed in the experiments. The present model is a prototype for a larger class of models describing diffusion of particles in a complex disordered system.Comment: 33 pages, RevTeX, 19 figures available on request to [email protected]

Ultrafast optical generation of coherent phonons in CdTe1-xSex quantum dots

We report on the impulsive generation of coherent optical phonons in CdTe0.68Se0.32 nanocrystallites embedded in a glass matrix. Pump probe experiments using femtosecond laser pulses were performed by tuning the laser central energy to resonate with the absorption edge of the nanocrystals. We identify two longitudinal optical phonons, one longitudinal acoustic phonon and a fourth mode of a mixed longitudinal-transverse nature. The amplitude of the optical phonons as a function of the laser central energy exhibits a resonance that is well described by a model based on impulsive stimulated Raman scattering. The phases of the coherent phonons reveal coupling between different modes. At low power density excitations, the frequency of the optical coherent phonons deviates from values obtained from spontaneous Raman scattering. This behavior is ascribed to the presence of electronic impurity states which modify the nanocrystal dielectric function and, thereby, the frequency of the infrared-active phonons