Photo-excitation of a light-harvesting supra-molecular triad: a Time-Dependent DFT study

We present the first time-dependent density-functional theory (TDDFT) calculation on a light harvesting triad carotenoid-diaryl-porphyrin-C60. Besides the numerical challenge that the ab initio study of the electronic structure of such a large system presents, we show that TDDFT is able to provide an accurate description of the excited state properties of the system. In particular we calculate the photo-absorption spectrum of the supra-molecular assembly, and we provide an interpretation of the photo-excitation mechanism in terms of the properties of the component moieties. The spectrum is in good agreement with experimental data, and provides useful insight on the photo-induced charge transfer mechanism which characterizes the system.Comment: Accepted for publication on JPC, March 09th 200

Dirac-Based Quantum Admittance of 2D Nanomaterials at Radio Frequencies

Starting from a rigorous finite mass, Dirac equation-based model, we investigate the R.F. quantum admittance of a monolayer 2D material under the action of an electromagnetic (e.m.) wave with axially directed vector potential. With some reasonable approximations, the analysis yields a relatively simple RLC-equivalent circuit with frequency-independent elements depending on the bias, temperature, effective mass, Fermi velocity and effective e.m. index of the material, losses and other relevant parameters

Functional ecology of soil microbial communities along a glacier forefield in Tierra del Fuego (Chile)

A previously established chronosequence from Pia Glacier forefield in Tierra del Fuego (Chile) containing soils of different ages (from bare soils to forest ones) is analyzed. We used this chronosequence as framework to postulate that microbial successional development would be accompanied by changes in functionality. To test this, the GeoChip functional microarray was used to identify diversity of genes involved in microbial carbon and nitrogen metabolism, as well as other genes related to microbial stress response and biotic interactions. Changes in putative functionality generally reflected succession-related taxonomic composition of soil microbiota. Major shifts in carbon fixation and catabolism were observed, as well as major changes in nitrogen metabolism. At initial microbial dominated succession stages, microorganisms could be mainly involved in pathways that help to increase nutrient availability, while more complex microbial transformations such as denitrification and methanogenesis, and later degradation of complex organic substrates, could be more prevalent at vegetated successional states. Shifts in virus populations broadly reflected changes in microbial diversity. Conversely, stress response pathways appeared relatively well conserved for communities along the entire chronosequence. We conclude that nutrient utilization is likely the major driver of microbial succession in these soils. [Int Microbiol 19(3):161-173 (2016)]Keywords: Functional genes · antibiotic resistance · GeoChip microarray · primary succession · chronosequenc

Scattering-induced amplification of two-dimensional plasmons: electromagnetic modeling

Using two rigorous electromagnetic approaches, we study plasmon scattering in two-dimensional systems and show that plasmon amplification is possible in the presence of dc currents. Two scenarios are considered: plasmon scattering from an interface between different two-dimensional channels and plasmon reflection from electric contacts of arbitrary thickness. In each case, the effect of a dc current of the plasmon reflection and transmission coefficients and the plasmon power are both quantified. A resonant system is studied where plasmon roundtrip gain may exceed unity, showing the possibility of plasmon generation

Modal Analysis and Coupling in Metal-Insulator-Metal Waveguides

This paper shows how to analyze plasmonic metal-insulator-metal waveguides using the full modal structure of these guides. The analysis applies to all frequencies, particularly including the near infrared and visible spectrum, and to a wide range of sizes, including nanometallic structures. We use the approach here specifically to analyze waveguide junctions. We show that the full modal structure of the metal-insulator-metal (MIM) waveguides--which consists of real and complex discrete eigenvalue spectra, as well as the continuous spectrum--forms a complete basis set. We provide the derivation of these modes using the techniques developed for Sturm-Liouville and generalized eigenvalue equations. We demonstrate the need to include all parts of the spectrum to have a complete set of basis vectors to describe scattering within MIM waveguides with the mode-matching technique. We numerically compare the mode-matching formulation with finite-difference frequency-domain analysis and find very good agreement between the two for modal scattering at symmetric MIM waveguide junctions. We touch upon the similarities between the underlying mathematical structure of the MIM waveguide and the PT symmetric quantum mechanical pseudo-Hermitian Hamiltonians. The rich set of modes that the MIM waveguide supports forms a canonical example against which other more complicated geometries can be compared. Our work here encompasses the microwave results, but extends also to waveguides with real metals even at infrared and optical frequencies.Comment: 17 pages, 13 figures, 2 tables, references expanded, typos fixed, figures slightly modifie

Terahertz plasmons in coupled two-dimensional semiconductor resonators

Advances in theory are needed to match recent progress in measurements of coupled semiconductor resonators supporting terahertz plasmons. Here, we present a field-based model of plasmonic resonators that comprise gated and ungated two-dimensional electron systems. The model is compared to experimental measurements of a representative system, in which the interaction between the gated and ungated modes leads to a rich spectrum of hybridized resonances. A theoretical framework is thus established for the analysis and design of gated low-dimensional systems used as plasmonic resonators, underlining their potential application in the manipulation of terahertz frequency range signals