Enhancement of thermoelectric properties by energy filtering: Theoretical potential and experimental reality in nanostructured ZnSb

Energy filtering has been suggested by many authors as a means to improve thermoelectric properties. The idea is to filter away low-energy charge carriers in order to increase Seebeck coefficient without compromising electronic conductivity. This concept was investigated in the present paper for a specific material (ZnSb) by a combination of first-principles atomic-scale calculations, Boltzmann transport theory, and experimental studies of the same system. The potential of filtering in this material was first quantified, and it was as an example found that the power factor could be enhanced by an order of magnitude when the filter barrier height was 0.5~eV. Measured values of the Hall carrier concentration in bulk ZnSb were then used to calibrate the transport calculations, and nanostructured ZnSb with average grain size around 70~nm was processed to achieve filtering as suggested previously in the literature. Various scattering mechanisms were employed in the transport calculations and compared with the measured transport properties in nanostructured ZnSb as a function of temperature. Reasonable correspondence between theory and experiment could be achieved when a combination of constant lifetime scattering and energy filtering with a 0.25~eV barrier was employed. However, the difference between bulk and nanostructured samples was not sufficient to justify the introduction of an energy filtering mechanism. The reasons for this and possibilities to achieve filtering were discussed in the paper

Decoherence due to contacts in ballistic nanostructures

The active region of a ballistic nanostructure is an open quantum-mechanical system, whose nonunitary evolution (decoherence) towards a nonequilibrium steady state is determined by carrier injection from the contacts. The purpose of this paper is to provide a simple theoretical description of the contact-induced decoherence in ballistic nanostructures, which is established within the framework of the open systems theory. The active region's evolution in the presence of contacts is generally non-Markovian. However, if the contacts' energy relaxation due to electron-electron scattering is sufficiently fast, then the contacts can be considered memoryless on timescales coarsened over their energy relaxation time, and the evolution of the current-limiting active region can be considered Markovian. Therefore, we first derive a general Markovian map in the presence of a memoryless environment, by coarse-graining the exact short-time non-Markovian dynamics of an abstract open system over the environment memory-loss time, and we give the requirements for the validity of this map. We then introduce a model contact-active region interaction that describes carrier injection from the contacts for a generic two-terminal ballistic nanostructure. Starting from this model interaction and using the Markovian dynamics derived by coarse-graining over the effective memory-loss time of the contacts, we derive the formulas for the nonequilibrium steady-state distribution functions of the forward and backward propagating states in the nanostructure's active region. On the example of a double-barrier tunneling structure, the present approach yields an I-V curve with all the prominent resonant features. The relationship to the Landauer-B\"{u}ttiker formalism is also discussed, as well as the inclusion of scattering.Comment: Published versio

Variable domain N-linked glycosylation and negative surface charge are key features of monoclonal ACPA: implications for B-cell selection

Autoreactive B cells have a central role in the pathogenesis of rheumatoid arthritis (RA), and recent findings have proposed that anti-citrullinated protein autoantibodies (ACPA) may be directly pathogenic. Herein, we demonstrate the frequency of variable-region glycosylation in single-cell cloned mAbs. A total of 14 ACPA mAbs were evaluated for predicted N-linked glycosylation motifs in silico and compared to 452 highly-mutated mAbs from RA patients and controls. Variable region N-linked motifs (N-X-S/T) were strikingly prevalent within ACPA (100%) compared to somatically hypermutated (SHM) RA bone marrow plasma cells (21%), and synovial plasma cells from seropositive (39%) and seronegative RA (7%). When normalized for SHM, ACPA still had significantly higher frequency of N-linked motifs compared to all studied mAbs including highly-mutated HIV broadly-neutralizing and malaria-associated mAbs. The Fab glycans of ACPA-mAbs were highly sialylated, contributed to altered charge, but did not influence antigen binding. The analysis revealed evidence of unusual B-cell selection pressure and SHM-mediated decreased in surface charge and isoelectric point in ACPA. It is still unknown how these distinct features of anti-citrulline immunity may have an impact on pathogenesis. However, it is evident that they offer selective advantages for ACPA+ B cells, possibly also through non-antigen driven mechanisms

Modeling a Schottky-barrier carbon nanotube field-effect transistor with ferromagnetic contacts

In this study, a model of a Schottky-barrier carbon nanotube field- effect transistor (CNT-FET), with ferromagnetic contacts, has been developed. The emphasis is put on analysis of current-voltage characteristics as well as shot (and thermal) noise. The method is based on the tight-binding model and the non- equilibrium Green's function technique. The calculations show that, at room temperature, the shot noise of the CNT FET is Poissonian in the sub-threshold region, whereas in elevated gate and drain/source voltage regions the Fano factor gets strongly reduced. Moreover, transport properties strongly depend on relative magnetization orientations in the source and drain contacts. In particular, one observes quite a large tunnel magnetoresistance, whose absolute value may exceed 50%.Comment: 8 pages, 4 figure

Thermoelectric properties of the bismuth telluride nanowires in the constant-relaxation-time approximation

Electronic structure of bismuth telluride nanowires with the growth directions [110] and [015] is studied in the framework of anisotropic effective mass method using the parabolic band approximation. The components of the electron and hole effective mass tensor for six valleys are calculated for both growth directions. For a square nanowire, in the temperature range from 77 K to 500 K, the dependence of the Seebeck coefficient, the electron thermal and electrical conductivity as well as the figure of merit ZT on the nanowire thickness and on the excess hole concentration are investigated in the constant-relaxation-time approximation. The carrier confinement is shown to play essential role for square nanowires with thickness less than 30 nm. The confinement decreases both the carrier concentration and the thermal conductivity but increases the maximum value of Seebeck coefficient in contrast to the excess holes (impurities). The confinement effect is stronger for the direction [015] than for the direction [110] due to the carrier mass difference for these directions. The carrier confinement increases maximum value of ZT and shifts it towards high temperatures. For the p-type bismuth telluride nanowires with growth direction [110], the maximum value of the figure of merit is equal to 1.3, 1.6, and 2.8, correspondingly, at temperatures 310 K, 390 K, 480 K and the nanowire thicknesses 30 nm, 15 nm, and 7 nm. At the room temperature, the figure of merit equals 1.2, 1.3, and 1.7, respectively.Comment: 13 pages, 7 figures, 2 tables, typos added, added references for sections 2-

Ground-based detection of sodium in the transmission spectrum of exoplanet HD209458b

[Context] The first detection of an atmosphere around an extrasolar planet was presented by Charbonneau and collaborators in 2002. In the optical transmission spectrum of the transiting exoplanet HD209458b, an absorption signal from sodium was measured at a level of 0.023+-0.006%, using the STIS spectrograph on the Hubble Space Telescope. Despite several attempts, so far only upper limits to the Na D absorption have been obtained using telescopes from the ground, and the HST result has yet to be confirmed. [Aims] The aims of this paper are to re-analyse data taken with the High Dispersion Spectrograph on the Subaru telescope, to correct for systematic effects dominating the data quality, and to improve on previous results presented in the literature. [Methods] The data reduction process was altered in several places, most importantly allowing for small shifts in the wavelength solution. The relative depth of all lines in the spectra, including the two sodium D lines, are found to correlate strongly with the continuum count level in the spectra. These variations are attributed to non-linearity effects in the CCDs. After removal of this empirical relation the uncertainties in the line depths are only a fraction above that expected from photon statistics. [Results] The sodium absorption due to the planet's atmosphere is detected at >5 sigma, at a level of 0.056+-0.007% (2x3.0 Ang band), 0.070+-0.011% (2x1.5 Ang band), and 0.135+-0.017% (2x0.75 Ang band). There is no evidence that the planetary absorption signal is shifted with respect to the stellar absorption, as recently claimed for HD189733b. The measurements in the two most narrow bands indicate that some signal is being resolved.[abridged]Comment: Latex, 7 pages: accepted for publication in Astronomy & Astrophysic

Pulmonary Epithelial Integrity in Children: Relationship to Ambient Ozone Exposure and Swimming Pool Attendance

Airway irritants such as ozone are known to impair lung function and induce airway inflammation. Clara cell protein (CC16) is a small anti-inflammatory protein secreted by the nonciliated bronchiolar Clara cells. CC16 in serum has been proposed as a noninvasive and sensitive marker of lung epithelial injury. In this study, we used lung function and serum CC16 concentration to examine the pulmonary responses to ambient O(3) exposure and swimming pool attendance. The measurements were made on 57 children 10–11 years of age before and after outdoor exercise for 2 hr. Individual O(3) exposure was estimated as the total exposure dose between 0700 hr until the second blood sample was obtained (mean O(3) concentration/m(3) × hours). The maximal 1-hr value was 118 μg/m(3) (59 ppb), and the individual exposure dose ranged between 352 and 914 μg/m(3)hr. These O(3) levels did not cause any significant changes in mean serum CC16 concentrations before or after outdoor exercise, nor was any decrease in lung function detected. However, children who regularly visited chlorinated indoor swimming pools had significantly lower CC16 levels in serum than did nonswimming children both before and after exercise (respectively, 57 ± 2.4 and 53 ± 1.7 μg/L vs. 8.2 ± 2.8 and 8.0 ± 2.6 μg/L; p < 0.002). These results indicate that repeated exposure to chlorination by-products in the air of indoor swimming pools has adverse effects on the Clara cell function in children. A possible relation between such damage to Clara cells and pulmonary morbidity (e.g., asthma) should be further investigated

Interaction-induced chaos in a two-electron quantum-dot system

A quasi-one-dimensional quantum dot containing two interacting electrons is analyzed in search of signatures of chaos. The two-electron energy spectrum is obtained by diagonalization of the Hamiltonian including the exact Coulomb interaction. We find that the level-spacing fluctuations follow closely a Wigner-Dyson distribution, which indicates the emergence of quantum signatures of chaos due to the Coulomb interaction in an otherwise non-chaotic system. In general, the Poincar\'e maps of a classical analog of this quantum mechanical problem can exhibit a mixed classical dynamics. However, for the range of energies involved in the present system, the dynamics is strongly chaotic, aside from small regular regions. The system we study models a realistic semiconductor nanostructure, with electronic parameters typical of gallium arsenide.Comment: 4 pages, 3ps figure

Silicon-based molecular electronics

Molecular electronics on silicon has distinct advantages over its metallic counterpart. We describe a theoretical formalism for transport through semiconductor-molecule heterostructures, combining a semi-empirical treatment of the bulk silicon bandstructure with a first-principles description of the molecular chemistry and its bonding with silicon. Using this method, we demonstrate that the presence of a semiconducting band-edge can lead to a novel molecular resonant tunneling diode (RTD) that shows negative differential resistance (NDR) when the molecular levels are driven by an STM potential into the semiconducting band-gap. The peaks appear for positive bias on a p-doped and negative for an n-doped substrate. Charging in these devices is compromised by the RTD action, allowing possible identification of several molecular highest occupied (HOMO) and lowest unoccupied (LUMO) levels. Recent experiments by Hersam et al. [1] support our theoretical predictions.Comment: Author list is reverse alphabetical. All authors contributed equally. Email: rakshit/liangg/ ghosha/[email protected]