Frenkel Excitons in Random Systems With Correlated Gaussian Disorder

Optical absorption spectra of Frenkel excitons in random one-dimensional systems are presented. Two models of inhomogeneous broadening, arising from a Gaussian distribution of on-site energies, are considered. In one case the on-site energies are uncorrelated variables whereas in the second model the on-site energies are pairwise correlated (dimers). We observe a red shift and a broadening of the absorption line on increasing the width of the Gaussian distribution. In the two cases we find that the shift is the same, within our numerical accuracy, whereas the broadening is larger when dimers are introduced. The increase of the width of the Gaussian distribution leads to larger differences between uncorrelated and correlated disordered models. We suggest that this higher broadening is due to stronger scattering effects from dimers.Comment: 9 pages, REVTeX 3.0, 3 ps figures. To appear in Physical Review

Absence of extended states in a ladder model of DNA

We consider a ladder model of DNA for describing carrier transport in a fully coherent regime through finite segments. A single orbital is associated to each base, and both interstrand and intrastrand overlaps are considered within the nearest-neighbor approximation. Conduction through the sugar-phosphate backbone is neglected. We study analytically and numerically the spatial extend of the corresponding states by means of the Landauer and Lyapunov exponents. We conclude that intrinsic-DNA correlations, arising from the natural base pairing, does not suffice to observe extended states, in contrast to previous claims.Comment: 4 RevTex pages, 4 figures include

Nanowires: A route to efficient thermoelectric devices

Miniaturization of electronic devices aims at manufacturing ever smaller products, from mesoscopic to nanoscopic sizes. This trend is challenging because the increased levels of dissipated power demands a better understanding of heat transport in small volumes. A significant amount of the consumed energy is transformed into heat and dissipated to the environment. Thermoelectric materials offer the possibility to harness dissipated energy and make devices less energy-demanding. Heat-to-electricity conversion requires materials with a strongly suppressed thermal conductivity but still high electronic conduction. Nanowires can meet nicely these two requirements because enhanced phonon scattering at the surface and defects reduces the lattice thermal conductivity while electric conductivity is not deteriorated, leading to an overall remarkable thermoelectric efficiency. Therefore, nanowires are regarded as a promising route to achieving valuable thermoelectric materials at the nanoscale. In this paper, we present an overview of key experimental and theoretical results concerning the thermoelectric properties of nanowires. The focus of this review is put on the physical mechanisms by which the efficiency of nanowires can be improved. Phonon scattering at surfaces and interfaces, enhancement of the power factor by quantum effects and topological protection of electron states to prevent the degradation of electrical conductivity in nanowires are thoroughly discussed

Electron states in a one-dimensional random binary alloy

We present a model for alloys of compound semiconductors by introducing a one-dimensional binary random system where impurities are placed in one sublattice while host atoms lie on the other sublattice. The source of disorder is the stochastic fluctuation of the impurity energy from site to site. Although the system is one-dimensional and random, we demonstrate analytical and numerically the existence of extended states in the neighborhood of a given resonant energy, which match that of the host atoms.Comment: 11 pages, REVTeX, 3 PostScript figure

Fluorescence decay in aperiodic Frenkel lattices

We study motion and capture of excitons in self-similar linear systems in which interstitial traps are arranged according to an aperiodic sequence, focusing our attention on Fibonacci and Thue-Morse systems as canonical examples. The decay of the fluorescence intensity following a broadband pulse excitation is evaluated by solving the microscopic equations of motion of the Frenkel exciton problem. We find that the average decay is exponential and depends only on the concentration of traps and the trapping rate. In addition, we observe small-amplitude oscillations coming from the coupling between the low-lying mode and a few high-lying modes through the topology of the lattice. These oscillations are characteristic of each particular arrangement of traps and they are directly related to the Fourier transform of the underlying lattice. Our predictions can be then used to determine experimentally the ordering of traps.Comment: REVTeX 3.0 + 3PostScript Figures + epsf.sty (uuencoded). To appear in Physical Review

FIBONACCI SUPERLATTICES OF NARROW-GAP III-V SEMICONDUCTORS

We report theoretical electronic structure of Fibonacci superlattices of narrow-gap III-V semiconductors. Electron dynamics is accurately described within the envelope-function approximation in a two-band model. Quasiperiodicity is introduced by considering two different III-V semiconductor layers and arranging them according to the Fibonacci series along the growth direction. The resulting energy spectrum is then found by solving exactly the corresponding effective-mass (Dirac-like) wave equation using tranfer-matrix techniques. We find that a self-similar electronic spectrum can be seen in the band structure. Electronic transport properties of samples are also studied and related to the degree of spatial localization of electronic envelope-functions via Landauer resistance and Lyapunov coefficient. As a working example, we consider type II InAs/GaSb superlattices and discuss in detail our results in this system.Comment: REVTeX 3.0, 16 pages, 8 figures available upon request. To appear in Semiconductor Science and Technolog

Exciton Optical Absorption in Self-Similar Aperiodic Lattices

Exciton optical absorption in self-similar aperiodic one-dimensional systems is considered, focusing our attention on Thue-Morse and Fibonacci lattices as canonical examples. The absorption line shape is evaluated by solving the microscopic equations of motion of the Frenkel-exciton problem on the lattice, in which on-site energies take on two values, according to the Thue-Morse or Fibonacci sequences. Results are compared to those obtained in random lattices with the same stechiometry and size. We find that aperiodic order causes the occurrence of well-defined characteristic features in the absorption spectra which clearly differ from the case of random systems, indicating a most peculiar exciton dynamics. We successfully explain the obtained spectra in terms of the two-center problem. This allows us to establish the origin of all the absorption lines by considering the self-similar aperiodic lattices as composed of two-center blocks, within the same spirit of the renormalization group ideas.Comment: 16 pages in REVTeX 3.0. 2 figures on request to F. D-A ([email protected]

Lattice thermal conductivity of graphene nanostructures

Non-equilibrium molecular dynamics is used to investigate the heat current due to the atomic lattice vibrations in graphene nanoribbons and nanorings under a thermal gradient. We consider a wide range of temperature, nanoribbon widths up to 6nm and the effect of moderate edge disorder. We find that narrow graphene nanorings can efficiently suppress the lattice thermal conductivity at low temperatures (~100K), as compared to nanoribbons of the same width. Remarkably, rough edges do not appear to have a large impact on lattice energy transport through graphene nanorings while nanoribbons seem more affected by imperfections. Furthermore, we demonstrate that the effects of hydrogen-saturated edges can be neglected in these graphene nanostructures

Dynamical phenomena in Fibonacci Semiconductor Superlattices

We present a detailed study of the dynamics of electronic wavepackets in Fibonacci semiconductor superlattices, both in flat band conditions and subject to homogeneous electric fields perpendicular to the layers. Coherent propagation of electrons is described by means of a scalar Hamiltonian using the effective-mass approximation. We have found that an initial Gaussian wavepacket is filtered selectively when passing through the superlattice. This means that only those components of the wavepacket whose wavenumber belong to allowed subminibands of the fractal-like energy spectrum can propagate over the entire superlattice. The Fourier pattern of the transmitted part of the wavepacket presents clear evidences of fractality reproducing those of the underlying energy spectrum. This phenomenon persists even in the presence of unintentional disorder due to growth imperfections. Finally, we have demonstrated that periodic coherent-field induced oscillations (Bloch oscillations), which we are able to observe in our simulations of periodic superlattices, are replaced in Fibonacci superlattices by more complex oscillations displaying quasiperiodic signatures, thus sheding more light onto the very peculiar nature of the electronic states in these systems.Comment: 7 pagex, RevTex, 5 Postscript figures. Physical Review B (in press

Three-dimensional effects on extended states in disordered models of polymers

We study electronic transport properties of disordered polymers in the presence of both uncorrelated and short-range correlated impurities. In our procedure, the actual physical potential acting upon the electrons is replaced by a set of nonlocal separable potentials, leading to a Schr\"odinger equation that is exactly solvable in the momentum representation. We then show that the reflection coefficient of a pair of impurities placed at neighboring sites (dimer defect) vanishes for a particular resonant energy. When there is a finite number of such defects randomly distributed over the whole lattice, we find that the transmission coefficient is almost unity for states close to the resonant energy, and that those states present a very large localization length. Multifractal analysis techniques applied to very long systems demonstrate that these states are truly extended in the thermodynamic limit. These results reinforce the possibility to verify experimentally theoretical predictions about absence of localization in quasi-one-dimensional disordered systems.Comment: 16 pages, REVTeX 3.0, 5 figures on request from FDA ([email protected]). Submitted to Phys. Rev. B. MA/UC3M/09/9