Tight binding formulation of the dielectric response in semiconductor nanocrystals

We report on a theoretical derivation of the electronic dielectric response of semiconductor nanocrystals using a tight-binding framework. Extending to the nanoscale the Hanke and Sham approach [Phys. Rev. B 12, 4501 (1975)] developed for bulk semiconductors, we show how local field effects can be included in the study of confined systems. A great advantage of this scheme is that of being formulated in terms of localized orbitals and thus it requires very few computational resources and times. Applications to the optical and screening properties of semiconductor nanocrystals are presented here and discussed. Results concerning the absorption cross section, the static polarizability and the screening function of InAs (direct gap) and Si (indirect gap) nanocrystals compare well to both first principles results and experimental data. We also show that the present scheme allows us to easily go beyond the continuum dielectric model, based on the Clausius-Mossotti equation, which is frequently used to include the nanocrystal surface polarization. Our calculations indicate that the continuum dielectric model, used in conjunction with a size dependent dielectric constant, underestimates the nanocrystal polarizability, leading to exceedingly strong surface polarization fields.Comment: 9 pages, 5 figures; corrected typos, added reference

Role of local fields in the optical properties of silicon nanocrystals using the tight binding approach

The role of local fields in the optical response of silicon nanocrystals is analyzed using a tight binding approach. Our calculations show that, at variance with bulk silicon, local field effects dramatically modify the silicon nanocrystal optical response. An explanation is given in terms of surface electronic polarization and confirmed by the fair agreement between the tight binding results and that of a classical dielectric model. From such a comparison, it emerges that the classical model works not only for large but also for very small nanocrystals. Moreover, the dependence on size of the optical response is discussed, in particular treating the limit of large size nanocrystals.Comment: 4 pages, 4 figure

Comorbid depressive disorders in ADHD. the role of ADHD severity, subtypes and familial psychiatric disorders

ObjectiveaaTo evaluate the presence of Major Depressive Disorder (MDD) and Dysthymic Disorder (DD) in a sample of Italian children with Attention Deficit Hyperactivity Disorder (ADHD) and to explore specific features of comorbid depressive disorders in ADHD. MethodsaaThree hundred and sixty-six consecutive, drug-naïve Caucasian Italian outpatients with ADHD were recruited and comorbid disorders were evaluated using DSM-IV-TR criteria. To evaluate ADHD severity, parents of all children filled out the ADHD Rating Scale. Thirty-seven children with comorbid MDD or DD were compared with 118 children with comorbid conduct disorder and 122 without comorbidity for age, sex, IQ level, family psychiatric history, and ADHD subtypes and severity. Resultsaa42 of the ADHD children displayed comorbid depressive disorders: 16 exhibited MDD, 21 DD, and 5 both MDD and DD. The frequency of hyperactive-impulsive subtypes was significantly lower in ADHD children with depressive disorders, than in those without any comorbidity. ADHD children with depressive disorders showed a higher number of familial psychiatric disorders and higher score in the Inattentive scale of the ADHD Rating Scale, than children without any comorbidity. No differences were found for age, sex and IQ level between the three groups. Conclusions: Consistent with previous studies in other countries, depressive disorders affect a significant proportion of ADHD children in Italy. Patient assessment and subsequent treatment should take into consideration the possible presence of this comorbidity, which could specifically increase the severity of ADHD attention problems

Engineering Silicon Nanocrystals: Theoretical study of the effect of Codoping with Boron and Phosphorus

We show that the optical and electronic properties of nanocrystalline silicon can be efficiently tuned using impurity doping. In particular, we give evidence, by means of ab-initio calculations, that by properly controlling the doping with either one or two atomic species, a significant modification of both the absorption and the emission of light can be achieved. We have considered impurities, either boron or phosphorous (doping) or both (codoping), located at different substitutional sites of silicon nanocrystals with size ranging from 1.1 nm to 1.8 nm in diameter. We have found that the codoped nanocrystals have the lowest impurity formation energies when the two impurities occupy nearest neighbor sites near the surface. In addition, such systems present band-edge states localized on the impurities giving rise to a red-shift of the absorption thresholds with respect to that of undoped nanocrystals. Our detailed theoretical analysis shows that the creation of an electron-hole pair due to light absorption determines a geometry distortion that in turn results in a Stokes shift between adsorption and emission spectra. In order to give a deeper insight in this effect, in one case we have calculated the absorption and emission spectra going beyond the single-particle approach showing the important role played by many-body effects. The entire set of results we have collected in this work give a strong indication that with the doping it is possible to tune the optical properties of silicon nanocrystals.Comment: 14 pages 19 figure

Short-Haul Revitalization Study Final Report

A feasibility study was performed for an advanced commercial short-haul aircraft to evaluate the potential for increased service for short-haul flights that operate out of regional and community airports. An analysis of potential origin-destination markets and trip distances resulted in a seat capacity selection of 48 passengers and a design range of 600 NM. A down-select of advanced technologies resulted in a hybrid-electric propulsion system being chosen as the primary enabling technology. A conceptual design of the advanced aircraft was developed, and a mission and sizing analysis was performed, comparing variants of the advanced aircraft with different levels of electrification. Fairly aggressive levels of electrification and battery specific energy are needed for the hybridelectric architecture to realize any benefit in terms of total energy cost for the 600 NM design mission. The development and operational costs were estimated for the advanced aircraft and compared to the baseline. This analysis demonstrated the negative effect of the cost to develop the hybrid-electric technology on the eventual operating cost. A market analysis was performed to determine possible passenger demand for the advanced shorthaul aircraft. According to the market analysis, there is potential demand for such an aircraft, but not necessarily in many of the smaller regional and community airports that were the intended beneficiaries of this new aircraft concept

Adiabatic description of nonspherical quantum dot models

Within the effective mass approximation an adiabatic description of spheroidal and dumbbell quantum dot models in the regime of strong dimensional quantization is presented using the expansion of the wave function in appropriate sets of single-parameter basis functions. The comparison is given and the peculiarities are considered for spectral and optical characteristics of the models with axially symmetric confining potentials depending on their geometric size making use of the total sets of exact and adiabatic quantum numbers in appropriate analytic approximations

Increased variability in ApcMin/+ intestinal tissue can be measured with microultrasound

Altered tissue structure is a feature of many disease states and is usually measured by microscopic methods, limiting analysis to small areas. Means to rapidly and quantitatively measure the structure and organisation of large tissue areas would represent a major advance not just for research but also in the clinic. Here, changes in tissue organisation that result from heterozygosity in Apc, a precancerous situation, are comprehensively measured using microultrasound and three-dimensional high-resolution microscopy. Despite its normal appearance in conventionally examined cross-sections, both approaches revealed a significant increase in the variability of tissue organisation in Apc heterozygous tissue. These changes preceded the formation of aberrant crypt foci or adenoma. Measuring these premalignant changes using microultrasound provides a potential means to detect microscopically abnormal regions in large tissue samples, independent of visual examination or biopsies. Not only does this provide a powerful tool for studying tissue structure in experimental settings, the ability to detect and monitor tissue changes by microultrasound could be developed into a powerful adjunct to screening endoscopy in the clinic

Il COSIM per la riqualificazione e l’ampliamento delle pertinenze del Teatro alla Scala di Milano

Nell’ambito del progetto PRIN 2010-2011, la ricerca dipartimentale ha affrontato, tra gli altri, il tema della ‘federazione’ del Construction Site Information Modeling (CoSIM) con il BHIMM, al fine di indagare i vantaggi e i limiti di aggregazione dell’apparato informativo nello stadio di progettazione e di produzione del processo edilizio, con particolare attenzione, in questo caso, agli interventi sul patrimonio architettonico esistente. Tra i diversi casi di studio ai quali si è applicata la modellazione informativa ergotecnica, quello del rifacimento delle pertinenze del Teatro alla Scala Milano, ha permesso di indagare gli aspetti del CoSIM relativi alla virtualizzazione 3D del layout di cantiere e all’analisi 4D del processo in presenza di vincoli di contesto di forte impatto sulla sua programmazione operativa. Come risultato si è ottenuto un affinamento del template di contestualizzazione del CoSIM, l’ampliamento di una libreria di modelli di elementi cantieristici parametrizzati e la creazione di un data base di macchine e attrezzature da cantiere tale da consentire un approccio dinamico, per LOD successivi, alla modellazione ergotecnica nello stadio di progettazione e di esecuzione, così da favorire anche la gestione in corso d’opera di un intervento, nell’ottica di prevenire criticità operative poi difficilmente dominabili dal punto di vista dei costi e dei tempi di realizzazione

Screening in semiconductor nanocrystals: \textit{Ab initio} results and Thomas-Fermi theory

A first-principles calculation of the impurity screening in Si and Ge nanocrystals is presented. We show that isocoric screening gives results in agreement with both the linear response and the point-charge approximations. Based on the present ab initio results, and by comparison with previous calculations, we propose a physical real-space interpretation of the several contributions to the screening. Combining the Thomas-Fermi theory and simple electrostatics, we show that it is possible to construct a model screening function that has the merit of being of simple physical interpretation. The main point upon which the model is based is that, up to distances of the order of a bond length from the perturbation, the charge response does not depend on the nanocrystal size. We show in a very clear way that the link between the screening at the nanoscale and in the bulk is given by the surface polarization. A detailed discussion is devoted to the importance of local field effects in the screening. Our first-principles calculations and the Thomas-Fermi theory clearly show that in Si and Ge nanocrystals, local field effects are dominated by surface polarization, which causes a reduction of the screening in going from the bulk down to the nanoscale. Finally, the model screening function is compared with recent state-of-the-art ab initio calculations and tested with impurity activation energies

Silicon nanofluidic membrane for electrostatic control of drugs and analytes elution

Individualized long-term management of chronic pathologies remains an elusive goal despite recent progress in drug formulation and implantable devices. The lack of advanced systems for therapeutic administration that can be controlled and tailored based on patient needs precludes optimal management of pathologies, such as diabetes, hypertension, rheumatoid arthritis. Several triggered systems for drug delivery have been demonstrated. However, they mostly rely on continuous external stimuli, which hinder their application for long-term treatments. In this work, we investigated a silicon nanofluidic technology that incorporates a gate electrode and examined its ability to achieve reproducible control of drug release. Silicon carbide (SiC) was used to coat the membrane surface, including nanochannels, ensuring biocompatibility and chemical inertness for long-term stability for in vivo deployment. With the application of a small voltage (≤ 3 V DC) to the buried polysilicon electrode, we showed in vitro repeatable modulation of membrane permeability of two model analytes—methotrexate and quantum dots. Methotrexate is a first-line therapeutic approach for rheumatoid arthritis; quantum dots represent multi-functional nanoparticles with broad applicability from bio-labeling to targeted drug delivery. Importantly, SiC coating demonstrated optimal properties as a gate dielectric, which rendered our membrane relevant for multiple applications beyond drug delivery, such as lab on a chip and micro total analysis systems (µTAS)